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| CAS Number | 70254-61-4 |
| Catalog Number | AG005WP0(AGN-PC-0OGVV2) |
| Chemical Name | 2-Hydroxy-6-methyl-4H-pyran-4-one |
| EC Number | 211-619-2 |
| IUPAC Name | 4-hydroxy-6-methylpyran-2-one |
| InChI | InChI=1S/C6H6O3/c1-4-2-5(7)3-6(8)9-4/h2-3,7H,1H3 |
| InChI Key | NSYSSMYQPLSPOD-UHFFFAOYSA-N |
| MDL Number | MFCD18820248 |
| Molecular Formula | C6H6O3 |
| Molecular Weight | 126.1100 |
| NSC Number | 34625 |
| SMILES | CC1=CC(=O)C=C(O)O1 |
| UNII | S1S883S4EE |
| Synonyms | triacetic acid lactone,
4-Hydroxy-6-methyl-2-pyrone,
675-10-5,
2-Hydroxy-6-methyl-4H-pyran-4-one,
4-Hydroxy-6-methyl-2H-pyran-2-one,
70254-61-4,
4-hydroxy-6-methylpyran-2-one,
Triacetate lactone,
Triacetic acid lactone,
2H-PYRAN-2-ONE, 4-HYDROXY-6-METHYL-,
6-Methyl-4-hydroxypyron-(2),
UNII-S1S883S4EE,
NSC 34625,
6-methyl-4-hydroxy-2-pyrone,
CCRIS 3600,
4-Hydroxy-6-methylpyran-4-one,
EINECS 211-619-2,
BRN 0113815,
CHEMBL54907,
S1S883S4EE,
CHEBI:16458,
NSYSSMYQPLSPOD-UHFFFAOYSA-N,
MFCD00006641,
4-Hydroxy-6-methyl-2-pyrone, 98%,
3,5-Dihydroxysorbic acid delta-lactone,
PubChem9569,
Spectrum_001904,
SpecPlus_000816,
Spectrum2_001978,
Spectrum3_001720,
Spectrum4_001907,
Spectrum5_000594,
4-hydroxy-6-methylpyrone,
6-methyl-4-hydroxypyrone,
ACMC-1BI0S,
4-hydroxy-6-methyl-pyrone,
4-hydroxy-6-methylpyranone,
4-hydroxy-6-methyl pyranone,
BSPBio_003340,
KBioGR_002500,
KBioSS_002438,
4-hydoxy-6-methyl-2-pyrone,
KSC356A1J,
DivK1c_006912,
SCHEMBL320025,
SCHEMBL918518,
SPECTRUM1600759,
SPBio_002135,
4- hydoxy-6-methyl-2-pyrone,
2-hydroxy-6-methylpyran-4-one,
4-hydroxy- 6-methyl-2-pyrone,
4-hydroxy-6 -methyl-2-pyrone,
4-hydroxy-6-methyl pyr-2-one,
4-Hydroxy-6-Methyl-a-pyrone;,
6-Methyl-4-hydroxypyran-2-one,
DTXSID1060974,
CTK2F6014,
CTK8C2277,
KBio1_001856,
KBio2_002432,
KBio2_005000,
KBio2_007568,
KBio3_002560,
KS-00000QID,
2-hydroxy-6-methyl-pyran-4-one,
4-hydroxy-6-methyl-pyran-2-one,
6-methyl-4-hydroxy pyran-2-one,
OOKCZXGEYPSNIM-UHFFFAOYSA-N,
3,5-Dihydroxysorbic acid d-lactone,
AC1L2030,
ALBB-021321,
NSC34625,
ZERO/001810,
ZINC4273393,
0884AC,
ANW-35356,
ANW-68127,
BBL008420,
BDBM50405204,
CCG-39516,
MFCD18820248,
NSC-34625,
SBB001910,
STK772128,
4-Hydroxy-6-methyl-2-oxo-2H-pyran,
AKOS000119605,
AKOS016007260,
ZINC100045433,
CS-W020045,
LS40924,
MCULE-4178961944,
RP19667,
RTR-022673,
SDCCGMLS-0066925.P001,
TRA0068312,
VZ35471,
4-HYDROXY-6-METHYL-2-PYRONONE,
4H-Pyran-4-one, 2-hydroxy-6-methyl-,
NCGC00095976-01,
NCGC00095976-02,
NCGC00178130-01,
AC-27196,
AJ-50035,
AK-44057,
AK-80712,
AN-47181,
BC678859,
BR-44057,
DA-17115,
H349,
SC-53888,
SY001948,
AB0013001,
DB-055039,
LS-127456,
ST4083834,
TC-156872,
TL8004760,
TR-022673,
CS-0061284,
FT-0618665,
FT-0715301,
ST24023568,
MFCD00006641 (98%),
75H105,
7H-939,
C02752,
M-6213,
102190-EP2281817A1,
102190-EP2301922A1,
SR-05000002374,
I14-9760,
SR-05000002374-1,
W-104713,
BRD-K77202630-001-02-9,
BRD-K77202630-001-03-7,
F0001-1779,
Z1250100716,
3,5-Dihydroxysorbic acid |A-lactone;4-Hydroxy-6-Methyl-2-Pyrone,
InChI=1/C6H6O3/c1-4-2-5(7)3-6(8)9-4/h2-3,7H,1H,
C6H6O3,
C6-H6-O3,
CID12663,
ACN-051576,
H0715,
5-18-01-00110 (Beilstein Handbook Reference),
4H-Pyran-4-one, 2-hydroxy-6-methyl- (9CI),
4-Hydroxy-6-methyl-2-pyrone, 98% - 100G 100g,
106-63-8,
|
| Complexity | 200 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 126.032g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 126.111g/mol |
| Monoisotopic Mass | 126.032g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 46.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.5 |
| Symbol: | |
| Hazard Class | |
| Hazard statements | H302-H315-H319 |
| Packing Group | |
| Precautionary statements | P261-P305+P351+P338 |
| UN Code |
| Chemical Name: | Batch Number: | |
| Chemical Structure: | CAS Registry No: | |
| Product ID: | ||
| Manufacture Date: | ||
| Storage Temperature: | ||
| Formula: | ||
| Molecular Weight: | ||
| Quantity: |
| Test: | Result: |

