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Home > Other Heterocycles > 39764-85-7
39764-85-7 | Bicyclo[3.2.0]heptan-6-one, 1-phenyl-
CAS No: 39764-85-7 Catalog No: AG0077DH MDL No:
Product Description
Catalog Number:
AG0077DH
Chemical Name:
Bicyclo[3.2.0]heptan-6-one, 1-phenyl-
CAS Number:
39764-85-7
Molecular Formula:
C13H14O
Molecular Weight:
186.2497
IUPAC Name:
1-phenylbicyclo[3.2.0]heptan-6-one
InChI:
InChI=1S/C13H14O/c14-12-9-13(8-4-7-11(12)13)10-5-2-1-3-6-10/h1-3,5-6,11H,4,7-9H2
InChI Key:
DTVQPKBZAQBSKU-UHFFFAOYSA-N
SMILES:
O=C1CC2(C1CCC2)c1ccccc1
Properties
Complexity:
252
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.104g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
186.254g/mol
Monoisotopic Mass:
186.104g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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