AG003RQS

77527-00-5 | Methyl 3-acetyl-2-hydroxybenzoate

AG003RQS

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CAS Number	77527-00-5
Catalog Number	AG003RQS(AGN-PC-00KKG2)
Chemical Name	Methyl 3-acetyl-2-hydroxybenzoate
IUPAC Name	methyl 3-acetyl-2-hydroxybenzoate
InChI	InChI=1S/C10H10O4/c1-6(11)7-4-3-5-8(9(7)12)10(13)14-2/h3-5,12H,1-2H3
InChI Key	APYIKEJEROJJIK-UHFFFAOYSA-N
MDL Number	MFCD16883072
Molecular Formula	C10H10O4
Molecular Weight	194.1840
SMILES	O=C(OC)C1=CC=CC(C(C)=O)=C1O
Synonyms	METHYL 3-ACETYL-2-HYDROXYBENZOATE, 77527-00-5, Benzoic acid, 3-acetyl-2-hydroxy-, methyl ester, PubChem19299, methyl 3-acetylsalicylate, SCHEMBL2148841, KS-00000BHZ, Methyl3-Acetyl-2-hydroxybenzoate, APYIKEJEROJJIK-UHFFFAOYSA-N, 7003AJ, MFCD16883072, ZINC39376379, AKOS022183139, TRA0054822, AS-32645, CJ-19957, SY008597, AJ-100072, DB-075340, TC-308474, 2-Hydroxy-3-acetylbenzoic acid methyl ester, FT-0740127, 3-acetyl-2-hydroxy-benzoic acid methyl ester, Z-4067, MFCD16883072 (97+%), C10H10O4, 3934-20-1,

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	H302-H315-H319
Packing Group
Precautionary statements	P261-P302+P352-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number