Cas no 46406-87-5 (2-(4-nitrophenyl)butanoic acid)

2-(4-nitrophenyl)butanoic acid structure
46406-87-5 structure
Product Name:2-(4-nitrophenyl)butanoic acid
CAS No:46406-87-5
MF:C10H11NO4
MW:209.198642969131
CID:930354
PubChem ID:24047
Update Time:2025-04-19

2-(4-nitrophenyl)butanoic acid Chemical and Physical Properties

Names and Identifiers

    • 2-(4-nitrophenyl)butanoic acid
    • (+-)-2-(4-nitro-phenyl)-butyric acid
    • (p-Nitrophenyl)-butyric Acid
    • 2-(4'-nitrophenyl)butyric acid
    • 2-(4-NITROPLENYL)BUTYRIC ACID
    • 2-(p-Nitrophenyl)butanoic acid
    • 2-(p-nitrophenyl)-butyricaci
    • 2-(p-nitrophenyl)butyricacid
    • 2RS-(4-nitrophenyl)butanoic acid
    • 4-nitrophenylbutanoic acid
    • A-ETHYL-4-NITROBENZONIC ACID
    • NSC404387
    • DB-019471
    • BUTYRIC ACID, 2-(p-NITROPHENYL)-
    • SCHEMBL135650
    • NSC23310
    • D97527
    • 2-(4-nitrophenyl)butanoic acid;2-(4-nitrophenyl)butyric acid
    • EN300-1868949
    • AKOS015891288
    • 7463-53-8
    • NSC-404387
    • SY297828
    • EINECS 231-256-3
    • NSC68215
    • (S)-2-(4-Nitrophenyl)butanoic Acid
    • 2-(p-Nitrophenyl)butyric acid
    • 4-nitrophenylbutyric acid
    • 2-(4-Nitro-phenyl)-butyric acid
    • A838182
    • 2-(4-nitrophenyl)-n-butyric acid
    • Benzeneacetic acid, alpha-ethyl-4-nitro-
    • 2-(4-Nitrophenyl)butyric acid
    • p-nitrophenyl-butanoic acid
    • NSC-23310
    • NSC 68215
    • Benzeneacetic acid, .alpha.-ethyl-4-nitro
    • NSC-68215
    • alpha-Ethyl-4-nitrobenzeneacetic acid
    • MFCD00156935
    • NS00048074
    • 46406-87-5
    • NSC 404387
    • DTXSID701033429
    • BCP33367
    • AS-10801
    • Inchi: 1S/C10H11NO4/c1-2-9(10(12)13)7-3-5-8(6-4-7)11(14)15/h3-6,9H,2H2,1H3,(H,12,13)
    • InChI Key: XBGNOMBPRQVJSR-UHFFFAOYSA-N
    • SMILES: OC(C(C1C=CC(=CC=1)[N+](=O)[O-])CC)=O

Computed Properties

  • Exact Mass: 209.06883
  • Monoisotopic Mass: 209.06880783g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 3
  • Complexity: 240
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 2.1
  • Topological Polar Surface Area: 83.1?2

Experimental Properties

  • Density: 1.287
  • Boiling Point: 371 oC
  • Flash Point: 162 oC
  • PSA: 80.44
  • LogP: 2.69620
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