Cas no 29996-04-1 ((z)-4-amino-4-oxobut-2-enoic Acid)

(z)-4-amino-4-oxobut-2-enoic Acid structure
29996-04-1 structure
Product Name:(z)-4-amino-4-oxobut-2-enoic Acid
CAS No:29996-04-1
MF:C4H5NO3
MW:115.087401151657
CID:1440885
PubChem ID:5280451
Update Time:2025-04-20

(z)-4-amino-4-oxobut-2-enoic Acid Chemical and Physical Properties

Names and Identifiers

    • (z)-4-amino-4-oxobut-2-enoic Acid
    • AKOS002845346
    • (Z)-4-azanyl-4-oxidanylidene-but-2-enoic acid
    • HY-128750
    • (Z)-4-amino-4-keto-but-2-enoic acid
    • Maleic monoamide
    • 2-Butenoic acid, 4-amino-4-oxo-, (Z)-
    • cis-butenedioic imide
    • NSC3246
    • UNII-MJS1DTX3X1
    • CS-0102552
    • CHEBI:29045
    • DS-9731
    • Q27104047
    • MALEAMIC ACID
    • Maleic acid monoamide
    • SCHEMBL14359
    • NS00043678
    • 29996-04-1
    • Maleamidic acid;Aminomaleic acid
    • Acrylic acid, 3-carbamoyl-, (Z)-
    • (2Z)-4-Amino-4-oxo-2-butenoic acid
    • AI3-16135
    • 250B244D-950A-4448-A06D-416DD2187E2D
    • C01596
    • 4-amino-4-oxo-2-butenoic acid
    • 2-butenoic acid, 4-amino-4-oxo-, (2Z)-
    • Maleamate
    • FSQQTNAZHBEJLS-UPHRSURJSA-
    • (2Z)-4-amino-4-oxobut-2-enoic acid
    • A870113
    • (Z)-4-amino-4-oxo-2-butenoic acid
    • Z3006267143
    • NSC-8155
    • (Z)-3-carbamoyl acrylic acid
    • NSC 8155
    • (E)-3-carbamoylprop-2-enoic acid
    • (2Z)-3-carbamoylprop-2-enoic acid
    • EINECS 209-163-4
    • MFCD00082354
    • DTXSID301031738
    • EN300-7275131
    • (Z)-4-amino-4-oxobut-2-enoicacid
    • SCHEMBL23151874
    • s3330
    • 557-24-4
    • InChI=1/C4H5NO3/c5-3(6)1-2-4(7)8/h1-2H,(H2,5,6)(H,7,8)/b2-1-
    • MALEAMIC ACID [MI]
    • NSC-3246
    • MJS1DTX3X1
    • bmse000460
    • Inchi: 1S/C4H5NO3/c5-3(6)1-2-4(7)8/h1-2H,(H2,5,6)(H,7,8)/b2-1-
    • InChI Key: FSQQTNAZHBEJLS-UPHRSURJSA-N
    • SMILES: OC(/C=C\C(N)=O)=O

Computed Properties

  • Exact Mass: 115.02695
  • Monoisotopic Mass: 115.026943022g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 8
  • Rotatable Bond Count: 2
  • Complexity: 138
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 1
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: -1
  • Topological Polar Surface Area: 80.4?2

Experimental Properties

  • PSA: 80.39
  • LogP: -0.18720
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