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88959-22-2 | 4-Hexen-3-one, 6-(2,4,4-trimethylcyclopentylidene)-
CAS No: 88959-22-2 Catalog No: AG0046QL MDL No:
Product Description
Catalog Number:
AG0046QL
Chemical Name:
4-Hexen-3-one, 6-(2,4,4-trimethylcyclopentylidene)-
CAS Number:
88959-22-2
Molecular Formula:
C14H22O
Molecular Weight:
206.3239
IUPAC Name:
6-(2,4,4-trimethylcyclopentylidene)hex-4-en-3-one
InChI:
InChI=1S/C14H22O/c1-5-13(15)8-6-7-12-10-14(3,4)9-11(12)2/h6-8,11H,5,9-10H2,1-4H3
InChI Key:
NAYPQYDEQYCTJO-UHFFFAOYSA-N
SMILES:
CCC(=O)C=CC=C1CC(CC1C)(C)C
Properties
Complexity:
295
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.167g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
206.329g/mol
Monoisotopic Mass:
206.167g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
2
XLogP3:
3.5
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