AG003RVH

5628-56-8 | Methyl 4-hydroxy-2,3-dimethylbenzoate

AG003RVH

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CAS Number	5628-56-8
Catalog Number	AG003RVH(AGN-PC-002N47)
Chemical Name	Methyl 4-hydroxy-2,3-dimethylbenzoate
IUPAC Name	methyl 4-hydroxy-2,3-dimethylbenzoate
InChI	InChI=1S/C10H12O3/c1-6-7(2)9(11)5-4-8(6)10(12)13-3/h4-5,11H,1-3H3
InChI Key	YRTMTNQHJZLDOA-UHFFFAOYSA-N
MDL Number	MFCD13659355
Molecular Formula	C10H12O3
Molecular Weight	180.2005
SMILES	COC(=O)C1=CC=C(O)C(C)=C1C
Synonyms	Methyl 4-Hydroxy-2,3-dimethylbenzoate, 5628-56-8, Benzoic acid, 4-hydroxy-2,3-dimethyl-, methyl ester, SCHEMBL733030, 7072AJ, MFCD13659355, ZINC34370772, Methyl4-Hydroxy-2,3-dimethylbenzoate, AKOS024258072, methyl 2,3-dimethyl-4-hydroxybenzoate, FCH1175956, TRA0092733, KS-000009D0, AS-32452, CJ-18328, SY026052, AB0058396, FT-0721135, W-4506, 2,3-Dimethyl-4-hydroxybenzoic acid methyl ester, MFCD13659355 (95+%), C10H12O3,

Complexity	191
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	180.079g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	180.203g/mol
Monoisotopic Mass	180.079g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	46.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319
Packing Group
Precautionary statements	P305+P351+P338
UN Code

Certificate of Analysis

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