AG00G9KB

83194-70-1 | 2,6-diMethyl-4-hydroxybenzoic acid Methyl ester

AG00G9KB

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CAS Number	83194-70-1
Catalog Number	AG00G9KB(AGN-PC-00O3KI)
Chemical Name	2,6-diMethyl-4-hydroxybenzoic acid Methyl ester
IUPAC Name	methyl 4-hydroxy-2,6-dimethylbenzoate
InChI	InChI=1S/C10H12O3/c1-6-4-8(11)5-7(2)9(6)10(12)13-3/h4-5,11H,1-3H3
InChI Key	QCXIFBNFVHBKCI-UHFFFAOYSA-N
MDL Number	MFCD13191754
Molecular Formula	C10H12O3
Molecular Weight	180.2005
SMILES	COC(=O)C1=C(C)C=C(O)C=C1C
Synonyms	Methyl 4-hydroxy-2,6-dimethylbenzoate, 83194-70-1, 708-31-6, AK102815, Benzoic acid, 4-hydroxy-2,6-dimethyl-, methyl ester, SCHEMBL197898, CTK5D3052, KS-00000QAC, DTXSID50550343, QCXIFBNFVHBKCI-UHFFFAOYSA-N, 0990AC, ANW-65373, MFCD13191754, ZINC34161179, AKOS015852021, methyl 2,6-dimethyl-4-hydroxybenzoate, DS-3952, FCH1186430, AJ-87236, AX8234354, DB-022741, TR-037561, 4CH-024146, FT-0758511, ST24047926, 4-Hydroxy-2,6-dimethylbenzoic acid methyl ester, 4-hydroxy-2,6-dimethyl-benzoic acid methyl ester, C10H12O3,

Complexity	179
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	2.2

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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