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119435-10-8 | 2-Cyclohexen-1-one, 5-butyl-, (5R)-
CAS No: 119435-10-8 Catalog No: AG000IRP MDL No:
Product Description
Catalog Number:
AG000IRP
Chemical Name:
2-Cyclohexen-1-one, 5-butyl-, (5R)-
CAS Number:
119435-10-8
Molecular Formula:
C10H16O
Molecular Weight:
152.2334
IUPAC Name:
5-butylcyclohex-2-en-1-one
InChI:
InChI=1S/C10H16O/c1-2-3-5-9-6-4-7-10(11)8-9/h4,7,9H,2-3,5-6,8H2,1H3
InChI Key:
NMCWTXNYSKMQIX-UHFFFAOYSA-N
SMILES:
CCCC[C@@H]1CC=CC(=O)C1
Properties
Complexity:
158
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
152.12g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
152.237g/mol
Monoisotopic Mass:
152.12g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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