AG003ROO

59382-59-1 | Methyl 2-methyl-3-nitrobenzoate

AG003ROO

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CAS Number	59382-59-1
Catalog Number	AG003ROO(AGN-PC-0CG32O)
Chemical Name	Methyl 2-methyl-3-nitrobenzoate
IUPAC Name	methyl 2-methyl-3-nitrobenzoate
InChI	InChI=1S/C9H9NO4/c1-6-7(9(11)14-2)4-3-5-8(6)10(12)13/h3-5H,1-2H3
InChI Key	CRZGFIMLHZTLGT-UHFFFAOYSA-N
MDL Number	MFCD00082564
Molecular Formula	C9H9NO4
Molecular Weight	195.1721
SMILES	C1=C(C(=C(C=C1)[N+](=O)[O-])C)C(OC)=O
Synonyms	Methyl 2-methyl-3-nitrobenzoate, 59382-59-1, Methyl 3-nitro-o-toluate, Benzoic acid, 2-methyl-3-nitro-, methyl ester, 2-Methyl-3-nitrobenzoic Acid Methyl Ester, CRZGFIMLHZTLGT-UHFFFAOYSA-N, MFCD00082564, 2-methyl-3-nitromethylbenzoate, PubChem10933, AC1LCJ5S, ACMC-1AWH8, KSC495S1J, SCHEMBL307312, Methyl2-Methyl-3-nitrobenzoate, CTK3J5914, Methyl 3-nitro-2-methylbenzoate, DTXSID30345017, 2-methyl-3-(nitromethyl)benzoate, methyl 2-methyl-3-nitro-benzoate, 2-(Methoxycarbonyl)-6-nitrotoluene, ACT00897, ALBB-023475, BCP21848, CS-B0152, KS-00000BD2, Methyl 2-methyl-3-nitrobenzoate #, STR08156, ZINC2149906, 3-Nitro-o-toluic Acid Methyl Ester, ANW-33249, SBB064157, AKOS003390080, AB03098, AC-4829, ACN-000016, MCULE-4370990793, RP04005, RTR-020606, TRA0059893, VZ32552, Methyl 2-methyl-3-nitrobenzoate, 97%, 3-(Methoxycarbonyl)-2-methylnitrobenzene, AJ-33668, AK-47265, AM804105, AN-11581, BP-10734, BR-47265, CJ-07803, CJ-33104, M653, SC-26931, SY004356, 2-Methyl-3-nitro-benzoic acid methyl ester, 2-methyl-3-nitrobenzoic acid, methyl ester, AB0015327, TR-020606, FT-0628461, M2144, ST24033238, ST45026651, M-2326, MFCD00082564 (97+%), 10B-068, J-522044, C9H9NO4, CID601165, ZINC02149906, A8357, Methyl 2-methyl-3-nitrobenzoate, 98% - 25G 25g,

Complexity	236
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	195.053g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	195.174g/mol
Monoisotopic Mass	195.053g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	72.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2

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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