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88046-53-1 | Cyclohexanone, 2-(1-oxo-4-pentenyl)-
CAS No: 88046-53-1 Catalog No: AG004G3O MDL No:
Product Description
Catalog Number:
AG004G3O
Chemical Name:
Cyclohexanone, 2-(1-oxo-4-pentenyl)-
CAS Number:
88046-53-1
Molecular Formula:
C11H16O2
Molecular Weight:
180.2435
IUPAC Name:
2-pent-4-enoylcyclohexan-1-one
InChI:
InChI=1S/C11H16O2/c1-2-3-7-10(12)9-6-4-5-8-11(9)13/h2,9H,1,3-8H2
InChI Key:
IMMBFLZPAIGMGQ-UHFFFAOYSA-N
SMILES:
C=CCCC(=O)C1CCCCC1=O
Properties
Complexity:
218
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.115g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
180.247g/mol
Monoisotopic Mass:
180.115g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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