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Home > Other Heterocycles > 1392219-30-5
1392219-30-5 | 1-phenylbicyclo[2.1.1]hexan-5-one
CAS No: 1392219-30-5 Catalog No: AG01C7LT MDL No:MFCD24713168
Product Description
Catalog Number:
AG01C7LT
Chemical Name:
1-phenylbicyclo[2.1.1]hexan-5-one
CAS Number:
1392219-30-5
Molecular Formula:
C12H12O
Molecular Weight:
172.2231
MDL Number:
MFCD24713168
IUPAC Name:
1-phenylbicyclo[2.1.1]hexan-5-one
InChI:
InChI=1S/C12H12O/c13-11-9-6-7-12(11,8-9)10-4-2-1-3-5-10/h1-5,9H,6-8H2
InChI Key:
AGRPDZOESHJYNX-UHFFFAOYSA-N
SMILES:
O=C1C2CCC1(C2)c1ccccc1
Properties
Complexity:
240
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.089g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
172.227g/mol
Monoisotopic Mass:
172.089g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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