CAS 38250-16-7 Benzeneacetic acid, 4-hydroxy-alpha-oxo-, methyl ester (HCID 3084696)

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Basic information

CAS: 38250-16-7
Standard SMILES: COC(=O)C(=O)c1ccc(O)cc1
InChIKey: ACOFACMTVIGUGM-UHFFFAOYSA-N
Molecular formula: C9H8O4
Average molar mass: 180.16 g/mol
Monoisotopic mass: 180.04225874

Names & identifiers

Preferred name: Benzeneacetic acid, 4-hydroxy-alpha-oxo-, methyl ester
IUPAC: methyl 2-(4-hydroxyphenyl)-2-oxoacetate
English name: 4-Hydroxyphenyloxoacetic acid methyl ester
Molecular formula: C9H8O4
Molecular weight: 180.16

Names & synonyms

38250-16-7Methyl 4-hydroxybenzoylcarboxylateBenzeneacetic acid, 4-hydroxy-.alpha.-oxo-, methyl esterDTXSID9068083Benzeneacetic acid, 4-hydroxy-alpha-oxo-, methyl esterRefChem:562875DTXCID7039466609-538-6methyl 2-(4-hydroxyphenyl)-2-oxoacetateMFCD247134934-hydroxy-alpha-oxobenzeneacetic acid methyl estermethyl p-hydroxyphenylglyoxylate

Show more names

Methyl 4-hydroxy-α-oxobenzeneacetate4-Hydroxyphenyloxoacetic acid methyl ester4-Hydroxy-α-oxobenzeneacetic acid methyl esterBenzeneacetic acid, 4-hydroxy-α-oxo-, methyl ester

SCHEMBL2601260Methyl (4-hydroxyphenyl)(oxo)acetateAKOS022640432methyl2-(4-hydroxyphenyl)-2-oxoacetate4-hydroxyphenylglyoxylic acid methyl esterAS-63916SY308253methyl 2-(4-hydroxy-phenyl)-2-oxoacetate

Database identifiers

CAS: 38250-16-7
PubChem CID: 3084696
DTXSID

Properties

Computed structural properties

XLogP: 1.3
Topological polar surface area: 63.6 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 3
Heavy atoms: 13
Formal charge: 0
Complexity: 204

Experimental & physicochemical properties

Endocrine DisruptorsPotential endocrine disrupting compound

Physicochemical properties

storage temp.: Inert atmosphere,Room Temperature
Appearance: White to off-white Solid
EPA Substance Registry System: 4 · Benzeneacetic acid, 4-hydroxy-.alpha.-oxo-, methyl ester (38250-16-7)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P280-P301+P312-P302+P352-P305+P351+P338
TSCA: TSCA listed