AG00CHQ7

42981-93-1 | Methyl 3-methoxy-2-methylbenzoate

AG00CHQ7

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CAS Number	42981-93-1
Catalog Number	AG00CHQ7(AGN-PC-0NJABI)
Chemical Name	Methyl 3-methoxy-2-methylbenzoate
IUPAC Name	methyl 3-methoxy-2-methylbenzoate
InChI	InChI=1S/C10H12O3/c1-7-8(10(11)13-3)5-4-6-9(7)12-2/h4-6H,1-3H3
InChI Key	VVQORCPXLODREB-UHFFFAOYSA-N
MDL Number	MFCD11846427
Molecular Formula	C10H12O3
Molecular Weight	180.2005
SMILES	COC(=O)C1=C(C)C(OC)=CC=C1
Synonyms	METHYL 3-METHOXY-2-METHYLBENZOATE, 42981-93-1, 3-methoxy-2-methylbenzoic acid methyl ester, ACMC-209js8, SCHEMBL3796962, CTK6J0550, DTXSID70501392, VVQORCPXLODREB-UHFFFAOYSA-N, KS-000029RX, ANW-29910, MFCD11846427, ZINC28278761, AKOS015888698, AS01334, MCULE-3705156077, NF-0031, RP10876, AJ-83443, CJ-17677, DA-17379, AB0009660, TC-118655, 2-Methyl-3-methoxybenzoic acid methyl ester, FT-0753702, A-3012, J-522189, I01-11577, Methyl3-methoxy-2-methylbenzoate, 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-H312-H332
Packing Group
Precautionary statements	P280
UN Code

Certificate of Analysis

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