AG0083KA

108593-44-8 | Methyl 3-methoxy-5-methylbenzoate

AG0083KA

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CAS Number	108593-44-8
Catalog Number	AG0083KA(AGN-PC-00O63W)
Chemical Name	Methyl 3-methoxy-5-methylbenzoate
IUPAC Name	methyl 3-methoxy-5-methylbenzoate
InChI	InChI=1S/C10H12O3/c1-7-4-8(10(11)13-3)6-9(5-7)12-2/h4-6H,1-3H3
InChI Key	QPZNMWJDXUEMOJ-UHFFFAOYSA-N
MDL Number	MFCD09833214
Molecular Formula	C10H12O3
Molecular Weight	180.2005
SMILES	O=C(OC)C1=CC(C)=CC(OC)=C1
Synonyms	Methyl 3-methoxy-5-methylbenzoate, 108593-44-8, 3-Methoxy-5-methyl-benzoic acid methyl ester, Methyl3-methoxy-5-methylbenzoate, methyl 5-methoxy-3-methylbenzoate, QPZNMWJDXUEMOJ-UHFFFAOYSA-N, Benzoic acid, 3-methoxy-5-methyl-, methyl ester, methyl 3-methoxy-5-methyl-benzoate, 3-Methoxy-5-methyl- benzoic acid methyl ester, SCHEMBL988746, CTK4A6096, KS-00000PJF, DTXSID70550749, Methyl-3-methoxy-5-methyl benzoate, ANW-48429, MFCD09833214, ZINC22010570, AKOS006328084, AC-5449, CM12832, MB07769, Methyl 3-methyl-5-(methyloxy)benzoate, AJ-80435, AK-47180, AM802910, AN-11003, BC203206, BR-47180, DA-17854, TS-02518, TC-137174, 3-Methoxy-5-methylbenzoic acid methyl ester, FT-0720603, ST24025303, X8886, S-7335, 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	0
Isotope Atom Count	0
Molecular Weight	180.203g/mol
Monoisotopic Mass	180.079g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	35.5A^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
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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