AG003RSR

3556-83-0 | Methyl 3-Methoxy-4-methylbenzoate

AG003RSR

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CAS Number	3556-83-0
Catalog Number	AG003RSR(AGN-PC-0C1CF5)
Chemical Name	Methyl 3-Methoxy-4-methylbenzoate
EC Number	609-142-3
IUPAC Name	methyl 3-methoxy-4-methylbenzoate
InChI	InChI=1S/C10H12O3/c1-7-4-5-8(10(11)13-3)6-9(7)12-2/h4-6H,1-3H3
InChI Key	LLEXCSBUSVRBCA-UHFFFAOYSA-N
MDL Number	MFCD00082710
Molecular Formula	C10H12O3
Molecular Weight	180.2005
SMILES	C1=C(C(=CC=C1C(OC)=O)C)OC
Synonyms	Methyl 3-methoxy-4-methylbenzoate, 3556-83-0, 3-Methoxy-4-methylbenzoic Acid Methyl Ester, Methyl 3-Methoxy-p-toluate, LLEXCSBUSVRBCA-UHFFFAOYSA-N, 4-Methyl-m-anisic Acid Methyl Ester, MFCD00082710, Benzoic acid, 3-methoxy-4-methyl-, methyl ester, PubChem13650, AC1LBYD0, Methyl 4-Methyl-m-anisate, ACMC-1CS22, SCHEMBL1757167, Jsp006394, CTK4H4806, DTXSID30343639, Methyl3-Methoxy-4-methylbenzoate, ZINC403470, ACT00845, KS-00000BP8, methyl 3-methoxy-4-methyl-benzoate, ANW-28237, CM-790, SBB063349, 3-Methoxy-p-toluic Acid Methyl Ester, AKOS009039656, methyl 4-methyl-3-(methyloxy)benzoate, AB03124, AS01335, CM12831, MCULE-4964679586, NF-0026, RP10875, TRA0066176, VZ36302, AJ-22114, BR-72969, CJ-03890, Methyl 3-methoxy-4-methylbenzoate, 96%, Q022, SY021136, ZB013242, AB0017348, ST2413366, TR-014695, AM20040268, FT-0616018, M1427, ST45028925, 3-methoxy-4-methyl-benzoic acid methyl ester, M-2616, Benzoic acid, 4-methyl-3-methoxy, methyl ester, Benzoic acid,3-methoxy-4-methyl-, methyl ester, MFCD00082710 (97+%), I01-1368, J-522192, C10H12O3, CID591123, ZINC00403470, Methyl 3-methoxy-4-methylbenzoate, 99% - 1G 1g,

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	2.6

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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