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109956-89-0 | Cycloprop[e]indene-1a,2(1H)-dicarboxaldehyde,3a,4,5,6,6a,6b-hexahydro-5,5,6b-trimethyl-, (1aR,3aS,6aS,6bS)-
CAS No: 109956-89-0 Catalog No: AG007EEP MDL No:
Product Description
Catalog Number:
AG007EEP
Chemical Name:
Cycloprop[e]indene-1a,2(1H)-dicarboxaldehyde,3a,4,5,6,6a,6b-hexahydro-5,5,6b-trimethyl-, (1aR,3aS,6aS,6bS)-
CAS Number:
109956-89-0
Molecular Formula:
C15H20O2
Molecular Weight:
232.3181
IUPAC Name:
(1aR,3aS,6aS,6bS)-5,5,6b-trimethyl-3a,4,6,6a-tetrahydro-1H-cyclopropa[e]indene-1a,2-dicarbaldehyde
InChI:
InChI=1S/C15H20O2/c1-13(2)5-10-4-11(7-16)15(9-17)8-14(15,3)12(10)6-13/h4,7,9-10,12H,5-6,8H2,1-3H3/t10-,12+,14+,15+/m1/s1
InChI Key:
PJAAESPGJOSQGZ-WCUVEOEZSA-N
SMILES:
O=CC1=C[C@@H]2CC(C[C@@H]2[C@]2([C@]1(C=O)C2)C)(C)C
Properties
Complexity:
434
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
232.146g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
232.323g/mol
Monoisotopic Mass:
232.146g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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