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2167179-03-3 | 4-phenylbicyclo[2.1.1]hexane-1-carboxylic acid
CAS No: 2167179-03-3 Catalog No: AG01FJ0X MDL No:
Product Description
Catalog Number:
AG01FJ0X
Chemical Name:
4-phenylbicyclo[2.1.1]hexane-1-carboxylic acid
CAS Number:
2167179-03-3
Molecular Formula:
C13H14O2
Molecular Weight:
202.2491
IUPAC Name:
4-phenylbicyclo[2.1.1]hexane-1-carboxylic acid
InChI:
InChI=1S/C13H14O2/c14-11(15)13-7-6-12(8-13,9-13)10-4-2-1-3-5-10/h1-5H,6-9H2,(H,14,15)
InChI Key:
BYDRCVXIQZGOAB-UHFFFAOYSA-N
SMILES:
OC(=O)C12CCC(C1)(C2)c1ccccc1
Properties
Complexity:
283
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
202.099g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
202.253g/mol
Monoisotopic Mass:
202.099g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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