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| CAS Number | 7362-37-0 |
| Catalog Number | AG008QEW(AGN-PC-0OHBD8) |
| Chemical Name | trans-Sinapic acid |
| EC Number | 208-487-3 |
| IUPAC Name | (E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoic acid |
| InChI | InChI=1S/C11H12O5/c1-15-8-5-7(3-4-10(12)13)6-9(16-2)11(8)14/h3-6,14H,1-2H3,(H,12,13)/b4-3+ |
| InChI Key | PCMORTLOPMLEFB-ONEGZZNKSA-N |
| MDL Number | MFCD00004401 |
| Molecular Formula | C11H12O5 |
| Molecular Weight | 224.2100 |
| NSC Number | 59261 |
| SMILES | COc1cc(cc(c1O)OC)/C=C/C(=O)O |
| UNII | P0I60993EC |
| Synonyms | (E)-sinapic acid,
2-propenoic acid, 3-(4-hydroxy-3,5-dimethoxyphenyl)-,
3,5-dimethoxy-4-hydroxycinnamic acid,
4-hydroxy-3,5-dimethoxycinnamic acid,
cinnamic acid, 4-hydroxy-3,5-dimethoxy-, (E)-,
sinapic acid,
sinapic acid, (E)-,
sinapinic acid,
synapitic acid,
trans-sinapic acid,
trans-sinapinic acid,
SINAPIC ACID,
Sinapinic acid,
530-59-6,
3,5-Dimethoxy-4-hydroxycinnamic acid,
SINAPINATE,
Sinapate,
Synapoic acid,
4-Hydroxy-3,5-dimethoxycinnamic acid,
trans-sinapic acid,
(2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoic acid,
MFCD00004401,
(E)-3-(4-Hydroxy-3,5-dimethoxyphenyl)-2-propenoic acid,
UNII-P0I60993EC,
2-Propenoic acid, 3-(4-hydroxy-3,5-dimethoxyphenyl)-,
Cinnamic acid, 4-hydroxy-3,5-dimethoxy-, (E)-,
(2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)acrylic acid,
3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoic acid,
CHEMBL109341,
3,5-dimethoxy-4-hydroxy-trans-cinnamic acid,
CHEBI:15714,
PCMORTLOPMLEFB-ONEGZZNKSA-N,
P0I60993EC,
NSC59261,
(E)-3-(4-hydroxy-3,5-dimethoxyphenyl)acrylic acid,
4-Hydroxy-3,5-dimethoxy-cinnamic acid,
2-Propenoic acid, 3-(4-hydroxy-3,5-dimethoxyphenyl)-, (E)-,
trans-3,5-Dimethoxy-4-hydroxycinnamic acid,
7362-37-0,
SXX,
W-105777,
3-(4-Hydroxy-3,5-dimethoxyphenyl)-2-Propenoic acid,
(2E)-3-(4-Hydroxy-3,5-dimethoxyphenyl)-2-propenoic acid,
3-(4-hydroxy-3,5-dimethoxyphenyl)-(E)-2-propenoic acid,
2-propenoic acid, 3-(4-hydroxy-3,5-dimethoxyphenyl)-, (2E)-,
(E)-Sinapic acid,
3-(4-hydroxy-3,5-dimethoxyphenyl)acrylic acid,
sinapinic-acid,
Sinapic_acid,
3,5-Dimethoxy-4-hydroxycinnamic acid, 98%, predominantly trans isomer,
AK-29344,
Sinapic acid, trans-,
3,5-DIMETHOXY-4-HYDROXY CINNAMIC ACID,
AC1LCUXW,
bmse000318,
bmse000594,
bmse010209,
AC1Q47EG,
SCHEMBL37312,
MLS001066354,
Sinapic acid, >=98%, powder,
CHEBI:77131,
BIS8112,
ZX-AFC000604,
HMS2230P08,
ZINC153654,
BCP25316,
ZX-AT021035,
BBL036684,
BDBM50341142,
NSC-59261,
OR1178,
SBB061895,
AKOS015851820,
3, 5-dimethoxy-4-hydroxycinnamic acid,
CCG-214595,
CD-1325,
CS-W010448,
DB08587,
HY-W009732,
MS-8962,
RP27516,
RTX-012048,
trans-Sinapic acid, analytical standard,
NCGC00247028-01,
AJ-13047,
AN-45615,
SC-13259,
SMR000471879,
ST098710,
Cinnamic acid, 4-hydroxy-3,5-dimethoxy-,
SBI-0206696.P002,
AB0020603,
AB1009201,
4-Hydroxy-3,5-dimethoxy-(E)-Cinnamic acid,
ST24041243,
V1546,
EN300-93177,
C00482,
J10227,
K-9641,
3-(4-hydroxy-3,5-dimethoxy-phenyl)-acrylic acid,
I01-5955,
BRD-K95487349-001-04-2,
(E)-3-(4-Hydroxy-3,5-dimethoxy-phenyl)-acrylic acid,
3-(4-Hydroxy-3,5-dimethoxyphenyl)-2-propenoic acid #,
(E)-3-(4-hydroxy-3,5-dimethoxy-phenyl)prop-2-enoic acid,
(E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoic acid,
3-(4-Hydroxy-3,5-dimethoxyphenyl)-(2E)-2-Propenoic acid,
7AE78999-D500-492B-9651-46622E8DAA71,
Sinapic acid, matrix substance for MALDI-MS, >=99.0% (T),
UNII-68A28V6010 component PCMORTLOPMLEFB-ONEGZZNKSA-N,
Sinapic acid, matrix substance for MALDI-MS, >=99.5%, Ultra pure,
3,5-Dimethoxy-4-hydroxycinnamic acid; 4-Hydroxy-3,5-dimethoxy-cinnamic acid; Sinapinic acid,
InChI=1/C11H12O5/c1-15-8-5-7(3-4-10(12)13)6-9(16-2)11(8)14/h3-6,14H,1-2H3,(H,12,13)/b4-3,
synapitic acid,
Sinapoyl alcohol,
trans-sinapinic acid,
sinapic acid, (E)-,
C11H12O5,
UNII-68A28V6010,
EINECS 208-487-3,
4-Hydroxy-3,5-dimethoxycinnamicacid,
CID637775,
NSC 59261,
ACN-043199,
C11-H12-O5,
CB11829,
3-(3,4,5-trimethoxyphenyl)acrylic acid,
3,5-DIMETHOXY-4-HYDROXYCINNAMICACID,
trans-3',5'-Dimethoxy-4'-hydroxyzimtsaure,
C073734,
trans-3-(3,5-Dimethoxy-4-hydroxyphenyl)propensaure,
3,5-Dimethoxy-4-hydroxycinnamic acid, 98%, predominantly trans isomer - 1G 1g,
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| Complexity | 249 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Exact Mass | 224.068g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 224.212g/mol |
| Monoisotopic Mass | 224.068g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 76A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
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