AG003ROD

63113-79-1 | Methyl 2-methoxy-5-methylbenzoate

AG003ROD

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CAS Number	63113-79-1
Catalog Number	AG003ROD(AGN-PC-0N169N)
Chemical Name	Methyl 2-methoxy-5-methylbenzoate
IUPAC Name	methyl 2-methoxy-5-methylbenzoate
InChI	InChI=1S/C10H12O3/c1-7-4-5-9(12-2)8(6-7)10(11)13-3/h4-6H,1-3H3
InChI Key	HRIFAUHCKFFZKB-UHFFFAOYSA-N
MDL Number	MFCD06411343
Molecular Formula	C10H12O3
Molecular Weight	180.2005
SMILES	COC1=C(C(=O)OC)C=C(C=C1)C
Synonyms	Methyl 2-methoxy-5-methylbenzoate, 63113-79-1, 2-Methoxy-5-methylbenzoic acid methyl ester, Methyl 2-methoxy-5-methyl-benzoate, ACMC-20akif, SCHEMBL1505444, CTK2A9837, DTXSID30437143, HRIFAUHCKFFZKB-UHFFFAOYSA-N, MFCD06411343, ZINC25724104, AKOS005150440, MCULE-1100642271, AS-46464, Methyl 2-methoxy-5-methylbenzoate, 97%, DB-073259, TC-166254, FT-0722570, Benzoic acid, 2-methoxy-5-methyl-, methyl ester, Z98292761, CID10241396,

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	2.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard statements	H302
Precautionary statements

Certificate of Analysis

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