Cas no 18424-68-5 (1,2,3,4-Cyclohexanetetrol,(1a,2a,3a,4b)- (9CI))

1,2,3,4-Cyclohexanetetrol,(1a,2a,3a,4b)- (9CI) structure
18424-68-5 structure
Product Name:1,2,3,4-Cyclohexanetetrol,(1a,2a,3a,4b)- (9CI)
CAS No:18424-68-5
MF:C6H12O4
MW:148.157082557678
CID:233471
PubChem ID:278584
Update Time:2025-04-19

1,2,3,4-Cyclohexanetetrol,(1a,2a,3a,4b)- (9CI) Chemical and Physical Properties

Names and Identifiers

    • 1,2,3,4-Cyclohexanetetrol,(1a,2a,3a,4b)- (9CI)
    • 4-(4-bicyclo[2.2.1]heptanyl)bicyclo[2.2.1]heptane
    • (-)-cyclazocine
    • (+)-
    • (+)-cis-Cyclazocine
    • (+-)-Cyclohexan-1r,2c,3t,4t-tetraol
    • (+-)-cyclohexane-1r,2c,3t,4t-tetraol
    • (+-)-Cyclohexantetrol-(1r,2c,3t,4t)
    • (2S,6S,11S)-3-(Cyclopropylmethyl)-1,2,3,4,5,6-hexahydro-6,11-dimethyl-2,6-methano-3-benzazocin-8-ol
    • A-Cyclazocine
    • AG-F-24079
    • CTK8F1452
    • d-Cyclazocine
    • MCV 4511
    • NIH 10449
    • Win 20740
    • WESBWDZFWNIVRV-UHFFFAOYSA-N
    • cyclohexane-1,2,3,4-tetrol
    • NSC128293
    • 18424-68-5
    • SCHEMBL1960578
    • DTXSID80939809
    • Q65963761
    • 1,2,3,4-Cyclohexanetetrol
    • Cyclohexaneerythritol
    • NSC-128293
    • Inchi: 1S/C6H12O4/c7-3-1-2-4(8)6(10)5(3)9/h3-10H,1-2H2
    • InChI Key: WESBWDZFWNIVRV-UHFFFAOYSA-N
    • SMILES: OC1C(CCC(C1O)O)O

Computed Properties

  • Exact Mass: 148.07356
  • Monoisotopic Mass: 148.074
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 4
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 0
  • Complexity: 102
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 4
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: -1.8
  • Topological Polar Surface Area: 80.9?2

Experimental Properties

  • Density: 1.569
  • Boiling Point: 259.9°Cat760mmHg
  • Flash Point: 126.4°C
  • Refractive Index: 1.64
  • PSA: 80.92
  • LogP: -1.77620
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