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Home > Other Heterocycles > 88640-79-3
88640-79-3 | 4-Hexen-3-one, 6-(3,3-dimethylbicyclo[2.2.1]hept-2-ylidene)-
CAS No: 88640-79-3 Catalog No: AG0049E4 MDL No:
Product Description
Catalog Number:
AG0049E4
Chemical Name:
4-Hexen-3-one, 6-(3,3-dimethylbicyclo[2.2.1]hept-2-ylidene)-
CAS Number:
88640-79-3
Molecular Formula:
C15H22O
Molecular Weight:
218.3346
IUPAC Name:
6-(3,3-dimethyl-2-bicyclo[2.2.1]heptanylidene)hex-4-en-3-one
InChI:
InChI=1S/C15H22O/c1-4-13(16)6-5-7-14-11-8-9-12(10-11)15(14,2)3/h5-7,11-12H,4,8-10H2,1-3H3
InChI Key:
LGQTYELQTHVVOD-UHFFFAOYSA-N
SMILES:
CCC(=O)C=CC=C1C2CCC(C1(C)C)C2
Properties
Complexity:
346
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.167g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
218.34g/mol
Monoisotopic Mass:
218.167g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
2
XLogP3:
3.8
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