CAS 23876-18-8 2-(2-Methyl-6-nitrophenyl)acetic acid (HCID 675115)

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Basic information

CAS: 23876-18-8
Standard SMILES: Cc1cccc([N+](=O)[O-])c1CC(=O)O
InChIKey: WFKNETIJXXWRHO-UHFFFAOYSA-N
Molecular formula: C9H9NO4
Average molar mass: 195.17 g/mol
Monoisotopic mass: 195.05315777

Names & identifiers

Preferred name: 2-(2-Methyl-6-nitrophenyl)acetic acid
IUPAC: 2-(2-methyl-6-nitrophenyl)acetic acid
English name: 2-(2-Methyl-6-nitrophenyl)acetic acid
Molecular formula: C9H9NO4
Molecular weight: 195.17

Names & synonyms

2-(2-methyl-6-nitrophenyl)acetic acid23876-18-8MFCD000663132-Methyl-6-nitrobenzeneacetic acid2-METHYL-6-NITROPHENYLACETIC ACIDOprea1_329918SCHEMBL4408694DTXSID003501782-methyl-6-nitro-phenylacetic acidRB33302-(2-methyl-6-nitrophenyl)aceticacid2-(2-methyl-6-nitro-phenyl)acetic Acid

Show more names

(6-Methyl-2-nitrophenyl)acetic acidBenzeneacetic acid, 2-methyl-6-nitro-2-(2-Methyl-6-nitrophenyl)aceticacid,95%Methyl 3-[4-(aminomethyl)p2-(2-Methyl-6-nitrophenyl)acetic acidhenyl]propionate

(2-METHYL-6-NITROPHENYL)ACETIC ACIDSCHEMBL16397415YAA87618AKOS006273269DS-94802-(6-methyl-2-nitrophenyl)acetic acidDA-07798ST053517

Database identifiers

CAS: 23876-18-8
PubChem CID: 675115
DTXSID: DTXSID00350178

Properties

Computed structural properties

XLogP: 1.9
Topological polar surface area: 83.1 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 2
Heavy atoms: 14
Formal charge: 0
Complexity: 235

Physicochemical properties

form: Solid
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a