Cas no 115794-68-8 (2-Oxiranecarboxylicacid, 3-phenyl-, methyl ester, (2S,3S)-)

2-Oxiranecarboxylicacid, 3-phenyl-, methyl ester, (2S,3S)- structure
115794-68-8 structure
Product Name:2-Oxiranecarboxylicacid, 3-phenyl-, methyl ester, (2S,3S)-
CAS No:115794-68-8
MF:C10H10O3
MW:178.184603214264
CID:196283
PubChem ID:146578
Update Time:2025-04-19

2-Oxiranecarboxylicacid, 3-phenyl-, methyl ester, (2S,3S)- Chemical and Physical Properties

Names and Identifiers

    • 2-Oxiranecarboxylicacid, 3-phenyl-, methyl ester, (2S,3S)-
    • cis-(2S,3S)Methylepoxycinnamate
    • Methyl (2S,3S)-(?)-3-phenylglycidate
    • CCRIS 1649
    • methyl (2S,3S)-3-phenyloxirane-2-carboxylate
    • (S,S)-MPC
    • Methyl (2S,3S)-(?)-3-phenylglycidate
    • Methyl (2S,3S)-3-phenyloxiranecarboxylate
    • trans-(2S,3R)Methylepoxycinnamate
    • SCHEMBL8168248
    • Glycidic acid, 3-phenyl-, methyl ester, trans-
    • CCRIS 1646
    • HAFFKTJSQPQAPC-BDAKNGLRSA-N
    • cis-Methylepoxycinnamate
    • 115794-68-8
    • 2-Oxiranecarboxylicacid,3-phenyl-,methylester,(2S,3S)-
    • Methyl 3-phenyl-2-oxiranecarboxylate, (E)-
    • 115794-66-6
    • 40956-18-1
    • Oxiranecarboxylic acid,3-phenyl-, methyl ester, (2S-trans)-
    • Inchi: 1S/C10H10O3/c1-12-10(11)9-8(13-9)7-5-3-2-4-6-7/h2-6,8-9H,1H3/t8-,9+/m1/s1
    • InChI Key: HAFFKTJSQPQAPC-BDAKNGLRSA-N
    • SMILES: O1[C@H](C(=O)OC)[C@H]1C1C=CC=CC=1

Computed Properties

  • Exact Mass: 178.063
  • Monoisotopic Mass: 178.063
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 3
  • Complexity: 196
  • 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
  • Topological Polar Surface Area: 38.8A^2
  • XLogP3: 1.3

Experimental Properties

  • Density: 1.219
  • Boiling Point: 253°Cat760mmHg
  • Flash Point: 99.7°C
  • Refractive Index: 1.545
  • PSA: 38.83

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