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Home > Other Heterocycles > 81221-85-4
81221-85-4 | 4-Penten-1-one,1-(6,6-dimethylbicyclo[3.1.0]hex-2-en-2-yl)-
CAS No: 81221-85-4 Catalog No: AG004Z5C MDL No:
Product Description
Catalog Number:
AG004Z5C
Chemical Name:
4-Penten-1-one,1-(6,6-dimethylbicyclo[3.1.0]hex-2-en-2-yl)-
CAS Number:
81221-85-4
Molecular Formula:
C13H18O
Molecular Weight:
190.2814
IUPAC Name:
1-(6,6-dimethyl-2-bicyclo[3.1.0]hex-2-enyl)pent-4-en-1-one
InChI:
InChI=1S/C13H18O/c1-4-5-6-11(14)9-7-8-10-12(9)13(10,2)3/h4,7,10,12H,1,5-6,8H2,2-3H3
InChI Key:
KDIUVWJESDSKRW-UHFFFAOYSA-N
SMILES:
C=CCCC(=O)C1=CCC2C1C2(C)C
EC Number:
279-708-9
Properties
Complexity:
309
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
190.136g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
190.286g/mol
Monoisotopic Mass:
190.136g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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