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Home > Other Heterocycles > 139327-19-8
139327-19-8 | Bicyclo[3.1.0]hex-3-en-2-one, 6,6-dimethyl-3-phenyl-
CAS No: 139327-19-8 Catalog No: AG001AQL MDL No:
Product Description
Catalog Number:
AG001AQL
Chemical Name:
Bicyclo[3.1.0]hex-3-en-2-one, 6,6-dimethyl-3-phenyl-
CAS Number:
139327-19-8
Molecular Formula:
C14H14O
Molecular Weight:
198.2604
IUPAC Name:
6,6-dimethyl-3-phenylbicyclo[3.1.0]hex-3-en-2-one
InChI:
InChI=1S/C14H14O/c1-14(2)11-8-10(13(15)12(11)14)9-6-4-3-5-7-9/h3-8,11-12H,1-2H3
InChI Key:
OQGYAVOIUDJKMA-UHFFFAOYSA-N
SMILES:
O=C1C(=CC2C1C2(C)C)c1ccccc1
Properties
Complexity:
331
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.104g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
198.265g/mol
Monoisotopic Mass:
198.104g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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