Cas no 21037-34-3 (Butanedioicacid, 2,3-diphenyl-, (2R,3R)-)

Butanedioicacid, 2,3-diphenyl-, (2R,3R)- structure
21037-34-3 structure
Product Name:Butanedioicacid, 2,3-diphenyl-, (2R,3R)-
CAS No:21037-34-3
MF:C16H14O4
MW:270.279964923859
CID:253583
PubChem ID:744447
Update Time:2025-04-19

Butanedioicacid, 2,3-diphenyl-, (2R,3R)- Chemical and Physical Properties

Names and Identifiers

    • Butanedioicacid, 2,3-diphenyl-, (2R,3R)-
    • (R,R)-2,3-DIPHENYLSUCCINIC ACID
    • (2R,3S)-2,3-Diphenylsuccinic acid
    • (R*,S*)-2,3-diphenylsuccinic acid
    • Butanedioic acid, 2,3-diphenyl-, (R*,S*)-
    • Einecs 214-953-7
    • meso-2,3-Diphenyl-benrsteinsaeure
    • meso-2,3-Diphenyl-bernsteinsaeure
    • MESO-2,3-DIPHENYLBUTANEDIOIC ACID
    • meso-2,3-diphenyl-succinic acid
    • Succinic acid, 2,3-diphenyl-, meso-
    • (R,R)-(-)-2,3-Diphenylsuccinic acid
    • SCHEMBL7824857
    • Butanedioicacid,2,3-diphenyl-,(2R,3R)-
    • 21037-34-3
    • NSC-75627
    • NCGC00013826
    • (2R,3R)-2,3-Diphenylsuccinic acid
    • NCI75627
    • NCGC00013826-02
    • NCIStruc2_000399
    • (2R,3R)-2,3-diphenylbutanedioic acid
    • NCGC00096936-01
    • CCG-36707
    • CHEMBL1553139
    • NCIStruc1_000558
    • Inchi： 1S/C16H14O4/c17-15(18)13(11-7-3-1-4-8-11)14(16(19)20)12-9-5-2-6-10-12/h1-10,13-14H,(H,17,18)(H,19,20)/t13-,14-/m0/s1
    • InChI Key： PVXCQHHWNDJIJP-KBPBESRZSA-N
    • SMILES： OC([C@@H](C1C=CC=CC=1)[C@@H](C(=O)O)C1C=CC=CC=1)=O

Computed Properties

  • Exact Mass: 270.08922
  • Monoisotopic Mass: 270.08920892g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 20
  • Rotatable Bond Count: 5
  • Complexity: 306
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 2
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 2.6
  • Topological Polar Surface Area: 74.6?2

Experimental Properties

  • Density: 1.307
  • Boiling Point: 360.2°C at 760 mmHg
  • Flash Point: 185.8°C
  • Refractive Index: 1.62
  • PSA: 74.6
  • LogP: 2.72320

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