AG00ELM4

57009-12-8 | Methyl 3-acetyl-4-hydroxybenzoate

AG00ELM4

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CAS Number	57009-12-8
Catalog Number	AG00ELM4(AGN-PC-0NIM0G)
Chemical Name	Methyl 3-acetyl-4-hydroxybenzoate
EC Number	611-447-1
IUPAC Name	methyl 3-acetyl-4-hydroxybenzoate
InChI	InChI=1S/C10H10O4/c1-6(11)8-5-7(10(13)14-2)3-4-9(8)12/h3-5,12H,1-2H3
InChI Key	FPYAQSSSRQZXMS-UHFFFAOYSA-N
MDL Number	MFCD06797942
Molecular Formula	C10H10O4
Molecular Weight	194.1840
SMILES	O=C(OC)C1=CC=C(O)C(C(C)=O)=C1
Synonyms	methyl 3-acetyl-4-hydroxybenzoate, 57009-12-8, methyl 3-acetyl-4-hydroxy-benzoate, AC1Q42ZJ, SCHEMBL670644, CTK5A6149, DTXSID70490818, FPYAQSSSRQZXMS-UHFFFAOYSA-N, MFCD06797942, ZINC90225617, AKOS000138029, MCULE-7974368068, NE60141, RP03953, AK205332, DS-10404, AB0041709, FT-0749808, Y9509, EN300-71618, Benzoic acid, 3-acetyl-4-hydroxy-, methyl ester, J-522122, C10H10O4, methyl 3-acetyl-4-hydroxybenzoate, 95% - 1G 1g,

Complexity	236
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	3
Topological Polar Surface Area	63.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319
Packing Group
Precautionary statements	P305+P351+P338
UN Code

Certificate of Analysis

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