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| CAS Number | 2394-20-9 |
| Catalog Number | AG003PT4(AGN-PC-0QZZD5) |
| Chemical Name | Benzeneacetic acid, a,4-dihydroxy-3-methoxy-, (±)- |
| EC Number | 200-224-0 |
| FEMA Number | 4660 |
| IUPAC Name | 2-hydroxy-2-(4-hydroxy-3-methoxyphenyl)acetic acid |
| InChI | InChI=1S/C9H10O5/c1-14-7-4-5(2-3-6(7)10)8(11)9(12)13/h2-4,8,10-11H,1H3,(H,12,13) |
| InChI Key | CGQCWMIAEPEHNQ-UHFFFAOYSA-N |
| MDL Number | MFCD00004235 |
| Molecular Formula | C9H10O5 |
| Molecular Weight | 198.1727 |
| SMILES | OC(C1=CC=C(O)C(OC)=C1)C(O)=O |
| Synonyms | 4 Hydroxy 3 Methoxymandelic Acid,
4-Hydroxy-3-Methoxymandelic Acid,
Acid, 4-Hydroxy-3-Methoxymandelic,
Acid, Methoxyhydroxymandelic,
Acid, Vanillylmandelic,
Acid, Vanilmandelic,
Methoxyhydroxymandelic Acid,
Vanillylmandelic Acid,
Vanilmandelic Acid,
Vanillylmandelic acid,
55-10-7,
dl-4-Hydroxy-3-methoxymandelic acid,
2-hydroxy-2-(4-hydroxy-3-methoxyphenyl)acetic acid,
Vanilmandelic acid,
4-HYDROXY-3-METHOXYMANDELIC ACID,
2394-20-9,
Vanillomandelic acid,
(+/-)-Vanillylmandelic acid,
MFCD00004235,
VMA,
alpha,4-Dihydroxy-3-methoxybenzeneacetic acid,
CHEBI:20106,
CGQCWMIAEPEHNQ-UHFFFAOYSA-N,
Benzeneacetic acid, .alpha.,4-dihydroxy-3-methoxy-,
HMMA,
Mandelic acid, 4-hydroxy-3-methoxy-,
Hydroxy(4-hydroxy-3-methoxyphenyl)acetic acid,
H-6500,
2-hydroxy-2-(4-hydroxy-3-methoxy-phenyl)acetic acid,
2-(3-methoxy-4-oxidanyl-phenyl)-2-oxidanyl-ethanoic acid,
3-methoxy-4-hydroxymandelic acid,
Vanillinmandelic Acid,
4-Hydroxy-3-methoxymandelic acid, 99%,
DL-vanillomandelic acid,
DL-vanillylmandelic acid,
4-Hydroxy-3-methoxymandelate,
4'-Hydroxy-3'-methoxymandelic acid,
dl-3-Methoxy-4-hydroxymandelic acid,
3-Methoxy-4-hydroxymandelate,
4-Hydroxy-3-methoxy-DL-mandelic acid,
(4-Hydroxy-3-methoxyphenyl)glycolic acid,
Benzeneacetic acid, alpha,4-dihydroxy-3-methoxy-,
EINECS 200-224-0,
3-Methoxy-4-hydroxyphenylhydroxyacetic acid,
(y)-Vanillylmandelic acid,
Ia(2)Y+/-aIOEa,
(?)-Vanillylmandelic acid,
AC1L1B1N,
AC1Q46AA,
Lopac0_000602,
Oprea1_553862,
MLS002153465,
Adrenaline Related Compound 2,
SCHEMBL134326,
(.+/-.)-Vanilmandelic acid,
GTPL6645,
CHEMBL1256396,
SCHEMBL10085823,
KS-00000XSU,
HMS2235H06,
HMS3261J06,
HMS3371D20,
Tox21_500602,
8088AF,
RW1285,
SBB017532,
STL558222,
4-hydroxy-3-methoxyphenylglycolic acid,
AKOS015851906,
ACM2394209,
CCG-204691,
FCH1116797,
LP00602,
MCULE-9059916420,
VC30856,
NCGC00015492-02,
NCGC00015492-03,
NCGC00015492-04,
NCGC00015492-05,
NCGC00093978-01,
NCGC00093978-02,
NCGC00093978-03,
NCGC00261287-01,
AK126477,
AN-20784,
AN-24421,
SC-87649,
SMR001230822,
ST088606,
3-(1/4)xNo>>u-4-oC>>u+/-aIOEa,
4-oC>>u-3-(1/4)xNo>>u+/-aIOEa,
AX8006743,
TR-037065,
EU-0100602,
FT-0634243,
FT-0669752,
DL-4-HYDROXY-3-METHOXY-MANDELIC ACID,
( inverted question mark)-Vanillylmandelic acid,
C05584,
H 0131,
Hydroxy(4-hydroxy-3-methoxyphenyl)acetic acid #,
055H107,
A817001,
dl-.alpha.,4-Dihydroxy-3-methoxyphenylacetic acid,
SR-01000075241,
2-(4-Hydroxy-3-methoxyphenyl)-2-hydroxyacetic acid,
SR-01000075241-1,
I14-92182,
2-(4'-Hydroxy-3'-methoxyphenyl) 2-hydroxyethanoic acid,
2-(4'-hydroxy-3'-methoxyphenyl)-2-hydroxyethanoic acid,
DCD57880-FBEE-4ED4-A834-92387D266E8A,
DL-4-Hydroxy-3-methoxymandelic acid, analytical standard,
( inverted question mark)-4-Hydroxy-3-methoxymandelic acid,
4-oC>>u-3-(1/4)xNo>>u inverted question markaEthOEEEa,
DL-4-Hydroxy-3-methoxymandelic acid, >=98% (TLC), powder,
(+\-)-4-Hydroxy-3-methoxymandelic Acid-D3 (ring-D3) solution, 100 mug/mL in methanol, ampule of 1 mL, certified reference material,
Acid, Vanilmandelic,
Acid, Vanillylmandelic,
Methoxyhydroxymandelic Acid,
D0D8XF,
Acid, Methoxyhydroxymandelic,
UNII-0DQI268449,
4-hydroxy-3-methoxymandelsyre,
C9H10O5,
4-Hydroxy-3-methoxymandelsaure,
4-Hydroxy-3-methoxymandelicacid,
CID1245,
4 Hydroxy 3 Methoxymandelic Acid,
Acid, 4-Hydroxy-3-Methoxymandelic,
C9-H10-O5,
CH-503,
0DQI268449,
(+/-)-4-hydroxy-3-methoxymandelic acid,
Benzeneacetic acid, ?,4-dihydroxy-3-methoxy-,
Mandelic acid, 4-hydroxy-3-methoxy-, DL-,
H0268,
D014642,
2-Hydroxy-2-(4-hydroxy-3-methoxyphenyl)aceticacid,
(+/-)-2-Hydroxy-2-(4-hydroxy-3-methoxyphenyl)essigsaure,
Benzeneacetic acid, .alpha.,4-dihydroxy-3-methoxy-, (.+.)-,
3695-24-7,
|
| Complexity | 205 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 198.053g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 198.174g/mol |
| Monoisotopic Mass | 198.053g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 87A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.2 |
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