Home Carboxys 2-phenylcyclopent-1-ene-1-carboxylic acid

2-phenylcyclopent-1-ene-1-carboxylic acid

CAS No.:
156774-71-9
Catalog Number:
AG01AP5R
Molecular Formula:
C12H12O2
Molecular Weight:
188.2225
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Product Description
Catalog Number:
AG01AP5R
Chemical Name:
2-phenylcyclopent-1-ene-1-carboxylic acid
CAS Number:
156774-71-9
Molecular Formula:
C12H12O2
Molecular Weight:
188.2225
MDL Number:
MFCD20638899
IUPAC Name:
2-phenylcyclopentene-1-carboxylic acid
InChI:
InChI=1S/C12H12O2/c13-12(14)11-8-4-7-10(11)9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2,(H,13,14)
InChI Key:
KILXGKALLKILIE-UHFFFAOYSA-N
SMILES:
OC(=O)C1=C(CCC1)c1ccccc1
Properties
Complexity:
260  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.084g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
188.226g/mol
Monoisotopic Mass:
188.084g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  
Properties