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740799-82-0

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740799-82-0 Structure

740799-82-0 Structure
IdentificationBack Directory
[Name]

Benzoic acid, 3,4-dihydroxy-2-Methyl-, Methyl ester
[CAS]

740799-82-0
[Synonyms]

Methyl 3,4-dihydroxy-2-Methylbenzoate
Methyl 3,4-Dihydroxy-2-methylbenzoate >
3,4-Dihydroxy-2-methylbenzoic acid methyl ester
Benzoic acid, 3,4-dihydroxy-2-Methyl-, Methyl ester
[Molecular Formula]

C9H10O4
[MDL Number]

MFCD16250128
[MOL File]

740799-82-0.mol
[Molecular Weight]

182.173
Chemical PropertiesBack Directory
[Melting point ]

158.0 to 163.0 °C
[Boiling point ]

344.7±37.0 °C(Predicted)
[density ]

1.296±0.06 g/cm3(Predicted)
[storage temp. ]

Inert atmosphere,Room Temperature
[solubility ]

soluble in Methanol
[form ]

powder to crystal
[pka]

8.32±0.23(Predicted)
[color ]

Light yellow to Brown to Dark green
[InChI]

InChI=1S/C9H10O4/c1-5-6(9(12)13-2)3-4-7(10)8(5)11/h3-4,10-11H,1-2H3
[InChIKey]

ONNFZKHTMFVKNY-UHFFFAOYSA-N
[SMILES]

C(OC)(=O)C1=CC=C(O)C(O)=C1C
[CAS DataBase Reference]

740799-82-0
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319
[Precautionary statements ]

P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
[HS Code ]

2918290090
Spectrum DetailBack Directory
[Spectrum Detail]

Benzoic acid, 3,4-dihydroxy-2-Methyl-, Methyl ester(740799-82-0)1HNMR
Hazard InformationBack Directory
[References]

[1] Patent: US2005/209283, 2005, A1. Location in patent: Page/Page column 33
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