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

2-phenylcyclohex-1-ene-1-carboxylic acid

CAS No.:
108299-04-3
Catalog Number:
AG01AUX2
Molecular Formula:
C13H14O2
Molecular Weight:
202.2491
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Product Description
Catalog Number:
AG01AUX2
Chemical Name:
2-phenylcyclohex-1-ene-1-carboxylic acid
CAS Number:
108299-04-3
Molecular Formula:
C13H14O2
Molecular Weight:
202.2491
MDL Number:
MFCD24479611
IUPAC Name:
2-phenylcyclohexene-1-carboxylic acid
InChI:
InChI=1S/C13H14O2/c14-13(15)12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9H2,(H,14,15)
InChI Key:
OSDFYCJQRZZRQZ-UHFFFAOYSA-N
SMILES:
OC(=O)C1=C(CCCC1)c1ccccc1
Properties
Complexity:
272  
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:
2.9  
Properties