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Home > Other Heterocycles > 23391-15-3
23391-15-3 | Ethanone, 1-(4,7,7-trimethylbicyclo[4.1.0]hept-3-en-3-yl)-
CAS No: 23391-15-3 Catalog No: AG002N28 MDL No:
Product Description
Catalog Number:
AG002N28
Chemical Name:
Ethanone, 1-(4,7,7-trimethylbicyclo[4.1.0]hept-3-en-3-yl)-
CAS Number:
23391-15-3
Molecular Formula:
C12H18O
Molecular Weight:
178.2707
IUPAC Name:
1-(4,7,7-trimethyl-3-bicyclo[4.1.0]hept-3-enyl)ethanone
InChI:
InChI=1S/C12H18O/c1-7-5-10-11(12(10,3)4)6-9(7)8(2)13/h10-11H,5-6H2,1-4H3
InChI Key:
QENZMTLEYUHTIL-UHFFFAOYSA-N
SMILES:
CC1=C(CC2C(C1)C2(C)C)C(=O)C
Properties
Complexity:
296
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.136g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
178.275g/mol
Monoisotopic Mass:
178.136g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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