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Chemical Product CAS:100288-36-65,6-Azulenedicarboxaldehyde,1,2,3,3a,4,5,8,8a-octahydro-4-hydroxy-2,2,8-trimethyl-, (3aR,4S,5S,8R,8aR)-

5,6-Azulenedicarboxaldehyde,1,2,3,3a,4,5,8,8a-octahydro-4-hydroxy-2,2,8-trimethyl-, (3aR,4S,5S,8R,8aR)-

  • CAS No:

  • Name:

    5,6-Azulenedicarboxaldehyde,1,2,3,3a,4,5,8,8a-octahydro-4-hydroxy-2,2,8-trimethyl-, (3aR,4S,5S,8R,8aR)-
  • Molecular Formula:

    C15H22 O3
  • Molecular Weight:

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5,6-Azulenedicarboxaldehyde,1,2,3,3a,4,5,8,8a ( CASNO:100288-36-6 )

Identification and Related Records
5,6-Azulenedicarboxaldehyde,1,2,3,3a,4,5,8,8a-octahydro-4-hydroxy-2,2,8-trimethyl-, (3aR,4S,5S,8R,8aR)-
CAS Registry number:
Iupac name:
5,6-Azulenedicarboxaldehyde,1,2,3,3a,4,5,8,8a-octahydro-4-hydroxy-2,2,8-trimethyl-, [3aR-(3aa,4a,5b,8a,8aa)]-
Molecular Formula:
C15H22 O3
Molecular Weight:
Canonical SMILES:
Isomers smiles:
Chemical and Physical Properties
Boiling Point:
1.71E-07mmHg at 25°C
Refractive Index:
Flash Point:
Computed Properties:
Molecular Weight:250.33338 [g/mol]
Molecular Formula:C15H22O3
H-Bond Donor:1
H-Bond Acceptor:3
Rotatable Bond Count:2
Tautomer Count:3
Exact Mass:250.156895
MonoIsotopic Mass:250.156895
Topological Polar Surface Area:54.4
Heavy Atom Count:18
Formal Charge:0
Isotope Atom Count:0
Defined Atom Stereocenter Count:5
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:3
Feature 3D Donor Count:1
Feature 3D Hydrophobe Count:1
Feature 3D Ring Count:2
Effective Rotor Count:3.2
Conformer Sampling RMSD:0.6
CID Conformer Count:8
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