AG003LQR

7356-11-8 | Methyl 4-methyl-3-nitrobenzoate

AG003LQR

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CAS Number	7356-11-8
Catalog Number	AG003LQR(AGN-PC-0JLTI2)
Chemical Name	Methyl 4-methyl-3-nitrobenzoate
EC Number	230-886-6
IUPAC Name	methyl 4-methyl-3-nitrobenzoate
InChI	InChI=1S/C9H9NO4/c1-6-3-4-7(9(11)14-2)5-8(6)10(12)13/h3-5H,1-2H3
InChI Key	YFPBHPCMYFCRKS-UHFFFAOYSA-N
MDL Number	MFCD00130054
Molecular Formula	C9H9NO4
Molecular Weight	195.1721
NSC Number	29086
SMILES	C1=C(C=CC(=C1[N+](=O)[O-])C)C(OC)=O
Synonyms	Methyl 4-methyl-3-nitrobenzoate, 7356-11-8, Methyl 3-nitro-4-methylbenzoate, 4-Methyl-3-nitrobenzoic acid methyl ester, Benzoic acid, 4-methyl-3-nitro-, methyl ester, Methyl 3-nitro-p-toluate, 4-Methyl-3-nitro-benzoic acid methyl ester, MFCD00130054, NSC29086, PubChem10934, ACMC-1BFCI, AC1Q5AMB, KSC497G4T, SCHEMBL193275, AC1L324Z, AC1Q435M, Methyl4-Methyl-3-nitrobenzoate, Jsp000048, DTXSID3064641, 4-methoxycarbonyl-2-nitrotoluene, CTK3J7349, KS-00000BDQ, methyl 4-methyl-3-nitro-benzoate, YFPBHPCMYFCRKS-UHFFFAOYSA-N, ALBB-023492, BCP24488, ZINC1651943, EINECS 230-886-6, ANW-14096, NSC 29086, NSC-29086, SBB063330, AKOS003238481, AC-3100, AS-8504, CS-W020698, MCULE-4806819061, RTR-023861, TRA0073678, AJ-28810, AK-47341, AN-13273, BR-47341, CJ-05965, CJ-26727, SC-19910, ST079426, SY003830, DB-055776, ST2413421, TL8000017, TR-023861, FT-0636450, M2146, MFCD00130054 (98%), M-5030, p-Toluic acid, 3-nitro-, methyl ester (8CI), 356M118, I01-1320, Benzoic acid, methyl ester, p-Toluic acid, methyl ester, C9H9NO4, CID81816, 3-Nitro-p-toluic Acid Methyl Ester, AR-1J5186, 4-Methyl-3-nitrobenzoicacidmethylester, Methyl 4-methyl-3-nitrobenzoate, 99% - 100G 100g, 7780-04-3, 96-98-0,

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	2.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H317
Packing Group
Precautionary statements	P280
UN Code

Certificate of Analysis

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