AG00398C

38250-16-7 | Methyl 2-(4-Hydroxyphenyl)-2-Oxoacetate

AG00398C

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CAS Number	38250-16-7
Catalog Number	AG00398C(AGN-PC-0KP0MA)
Chemical Name	Methyl 2-(4-Hydroxyphenyl)-2-Oxoacetate
EC Number	609-538-6
IUPAC Name	methyl 2-(4-hydroxyphenyl)-2-oxoacetate
InChI	InChI=1S/C9H8O4/c1-13-9(12)8(11)6-2-4-7(10)5-3-6/h2-5,10H,1H3
InChI Key	ACOFACMTVIGUGM-UHFFFAOYSA-N
MDL Number	MFCD24713493
Molecular Formula	C9H8O4
Molecular Weight	180.1574
SMILES	OC1=CC=C(C=C1)C(C(=O)OC)=O
Synonyms	methyl 2-(4-hydroxyphenyl)-2-oxoacetate, 38250-16-7, Benzeneacetic acid, 4-hydroxy-.alpha.-oxo-, methyl ester, 4-hydroxy-alpha-oxobenzeneacetic acid methyl ester, Methyl 4-hydroxybenzoylcarboxylate, 4-Hydroxyphenyloxoacetic acid methyl ester, methyl p-hydroxyphenylglyoxylate, AC1MJ327, SCHEMBL2601260, Benzeneacetic acid, 4-hydroxy-alpha-oxo-, methyl ester, DTXSID9068083, CTK8I5153, ACOFACMTVIGUGM-UHFFFAOYSA-N, MFCD24713493, ZINC14504210, AKOS022640432, FCH2034016, KS-0000013H, 4-hydroxyphenylglyoxylic acid methyl ester, AJ-64915, AK155920, methyl 2-(4-hydroxy-phenyl)-2-oxoacetate, AX8290304, CS-0061796, alpha-oxo-4-hydroxybenzeneacetic acid methyl ester, 4-hydroxy-alpha-oxobenzene acetic acid methyl ester, C9-H8-O4, CID3084696,

Complexity	204
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	180.042g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	180.159g/mol
Monoisotopic Mass	180.042g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	63.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P280-P301+P312-P302+P352-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number