Cas no 54238-27-6 (2-Butenoic acid,4-(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)-, methyl ester)

2-Butenoic acid,4-(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)-, methyl ester structure
54238-27-6 structure
Product Name:2-Butenoic acid,4-(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)-, methyl ester
CAS No:54238-27-6
MF:C13H11NO4
MW:245.230743646622
CID:382943
PubChem ID:839217
Update Time:2025-04-19

2-Butenoic acid,4-(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)-, methyl ester Chemical and Physical Properties

Names and Identifiers

    • 2-Butenoic acid,4-(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)-, methyl ester
    • methyl 4-(1,3-dioxoisoindol-2-yl)but-2-enoate
    • 2-ISOINDOLINEBUTYRIC ACID,1,3-DIOXO
    • 4-phthalimidobutanoic acid
    • 4-Phthalimidobutyric acid
    • 4-phthalimido-n-butyric acid
    • 4-phthalimido-trans-crotonic acid methyl ester
    • 4-Phthalimido-trans-crotonsaeure-methylester
    • Butyric acid,4-phthalimido
    • N-Phthaloyl GABA
    • phthalimido butyric acid
    • methyl (2E)-4-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)but-2-enoate
    • F9995-1146
    • methyl 4-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)but-2-enoate
    • NSC-134468
    • AS-72107
    • methyl(2E)-4-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)but-2-enoate
    • SCHEMBL16120763
    • NSC134468
    • 194093-31-7
    • methyl (E)-4-(1,3-dioxoisoindol-2-yl)but-2-enoate
    • EN300-235061
    • methyl (2E)-4-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)but-2-enoate
    • 54238-27-6
    • AKOS015909993
    • 2-Butenoicacid,4-(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)-,methyl ester,(2E)-
    • methyl (2E)-4-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-2-butenoate
    • Inchi： 1S/C13H11NO4/c1-18-11(15)7-4-8-14-12(16)9-5-2-3-6-10(9)13(14)17/h2-7H,8H2,1H3/b7-4+
    • InChI Key： LLDZOOUNGYCZSH-QPJJXVBHSA-N
    • SMILES： O=C1C2C=CC=CC=2C(N1C/C=C/C(=O)OC)=O

Computed Properties

  • Exact Mass: 245.06900
  • Monoisotopic Mass: 245.069
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 18
  • Rotatable Bond Count: 4
  • Complexity: 378
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 1
  • XLogP3: 1.5
  • Topological Polar Surface Area: 63.7?2

Experimental Properties

  • Density: 1.312
  • Boiling Point: 387.6°Cat760mmHg
  • Flash Point: 188.2°C
  • Refractive Index: 1.586
  • PSA: 63.68000
  • LogP: 0.94970

2-Butenoic acid,4-(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)-, methyl ester Related Literature

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