AG00IKKF

87524-66-1 | 4-(2-Methoxy-2-oxoethyl)benzoic acid

AG00IKKF

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CAS Number	87524-66-1
Catalog Number	AG00IKKF(AGN-PC-0VEGUN)
Chemical Name	4-(2-Methoxy-2-oxoethyl)benzoic acid
IUPAC Name	4-(2-methoxy-2-oxoethyl)benzoic acid
InChI	InChI=1S/C10H10O4/c1-14-9(11)6-7-2-4-8(5-3-7)10(12)13/h2-5H,6H2,1H3,(H,12,13)
InChI Key	LUFHLJPQDOKZKU-UHFFFAOYSA-N
MDL Number	MFCD18782075
Molecular Formula	C10H10O4
Molecular Weight	194.1840
SMILES	O=C(O)C1=CC=C(CC(OC)=O)C=C1
Synonyms	4-(2-methoxy-2-oxoethyl)benzoic acid, 87524-66-1, SCHEMBL479979, LUFHLJPQDOKZKU-UHFFFAOYSA-N, KS-00000PJ6, 4-Methoxycarbonylmethyl-benzoic acid, MFCD18782075, ZINC34161403, AKOS006370364, 4-((methoxycarbonyl)methyl)benzoic acid, 4-((methoxycarbonyl) methyl)benzoic acid, AK320299, DA-02116, DA-16295, DS-11678, 4-[2-(Methyloxy)-2-oxoethyl]benzoic acid, FT-0705100, FT-0719149, Benzeneacetic acid, 4-carboxy-, a-methyl ester, Z2510258120, 1019352-61-4, 4-(2-methoxy-2-oxo-ethyl)benzoic acid, Benzeneacetic acid, 4-carboxy-, 1-methyl ester,

Complexity	216
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	194.058g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	194.186g/mol
Monoisotopic Mass	194.058g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	63.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H317-H319
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number