AG003EU4

143665-37-6 | 2-(3-Methyl-4-nitrophenyl)acetic acid

AG003EU4

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CAS Number	143665-37-6
Catalog Number	AG003EU4(AGN-PC-0N9XN5)
Chemical Name	2-(3-Methyl-4-nitrophenyl)acetic acid
IUPAC Name	2-(3-methyl-4-nitrophenyl)acetic acid
InChI	InChI=1S/C9H9NO4/c1-6-4-7(5-9(11)12)2-3-8(6)10(13)14/h2-4H,5H2,1H3,(H,11,12)
InChI Key	NUYOXESWWGUDLP-UHFFFAOYSA-N
MDL Number	MFCD11036394
Molecular Formula	C9H9NO4
Molecular Weight	195.1721
SMILES	O=C(O)CC1=CC=C([N+]([O-])=O)C(C)=C1
Synonyms	2-(3-Methyl-4-nitrophenyl)acetic acid, 143665-37-6, (3-methyl-4-nitrophenyl)acetic acid, Benzeneacetic acid, 3-methyl-4-nitro-, 3-METHYL-4-NITROPHENYL ACETIC ACID, SCHEMBL1829346, KS-00000CWW, DTXSID70444331, 5-(Carboxymethyl)-2-nitrotoluene, NUYOXESWWGUDLP-UHFFFAOYSA-N, BBL103241, CL4115, MFCD11036394, STL557051, ZINC71250429, AKOS005256956, 2-(3-Methyl-4-nitrophenyl)aceticAcid, 4-(Carboxymethyl)-2-methylnitrobenzene, DS-9499, RP03998, TRA0071154, AC-23289, AK151432, QC-10131, SY026666, AB0039994, AJ-117580, FT-0767444, ST24039328, Y7532, K-4603, MFCD11036394 (97+%), W-205596, C9H9NO4, 3-methyl-4-nitroBenzeneacetic acid, CID10750354, 2-(3-methyl-4-nitro-phenyl)acetic Acid, 110-72-5,

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	1
Isotope Atom Count	0
Molecular Weight	195.174g/mol
Monoisotopic Mass	195.053g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	83.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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