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Home > Aldehydes > 154648-88-1
154648-88-1 | 1,2-Naphthalenedicarboxaldehyde,1,4,4a,5,6,7,8,8a-octahydro-5,5-dimethyl-8-oxo-, (1R,4aS,8aS)-rel-(-)-
CAS No: 154648-88-1 Catalog No: AG007FTR MDL No:
Product Description
Catalog Number:
AG007FTR
Chemical Name:
1,2-Naphthalenedicarboxaldehyde,1,4,4a,5,6,7,8,8a-octahydro-5,5-dimethyl-8-oxo-, (1R,4aS,8aS)-rel-(-)-
CAS Number:
154648-88-1
Molecular Formula:
C14H18O3
Molecular Weight:
234.2909
IUPAC Name:
(1R,4aS,8aS)-5,5-dimethyl-8-oxo-1,4,4a,6,7,8a-hexahydronaphthalene-1,2-dicarbaldehyde
InChI:
InChI=1S/C14H18O3/c1-14(2)6-5-12(17)13-10(8-16)9(7-15)3-4-11(13)14/h3,7-8,10-11,13H,4-6H2,1-2H3/t10-,11-,13+/m0/s1
InChI Key:
HIRWQNBXJGMISA-GMXVVIOVSA-N
SMILES:
O=C[C@H]1C(=CC[C@H]2[C@@H]1C(=O)CCC2(C)C)C=O
Properties
Complexity:
392
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
234.126g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
234.295g/mol
Monoisotopic Mass:
234.126g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
51.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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