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Home > Aldehydes > 871468-89-2
871468-89-2 | Cyclopentanecarboxaldehyde, 2-(2-oxo-2-phenylethyl)-, (1S,2S)-
CAS No: 871468-89-2 Catalog No: AG004OES MDL No:
Product Description
Catalog Number:
AG004OES
Chemical Name:
Cyclopentanecarboxaldehyde, 2-(2-oxo-2-phenylethyl)-, (1S,2S)-
CAS Number:
871468-89-2
Molecular Formula:
C14H16O2
Molecular Weight:
216.2756
IUPAC Name:
(1S,2S)-2-phenacylcyclopentane-1-carbaldehyde
InChI:
InChI=1S/C14H16O2/c15-10-13-8-4-7-12(13)9-14(16)11-5-2-1-3-6-11/h1-3,5-6,10,12-13H,4,7-9H2/t12-,13+/m0/s1
InChI Key:
SNBLDCSKJDOITF-QWHCGFSZSA-N
SMILES:
O=C[C@H]1CCC[C@H]1CC(=O)c1ccccc1
Properties
Complexity:
254
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
216.115g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
216.28g/mol
Monoisotopic Mass:
216.115g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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