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1135-67-7 | Cyclohexanecarboxylic acid, 1-phenyl-
CAS No: 1135-67-7 Catalog No: AG0008S3 MDL No:MFCD00037152
Product Description
Catalog Number:
AG0008S3
Chemical Name:
Cyclohexanecarboxylic acid, 1-phenyl-
CAS Number:
1135-67-7
Molecular Formula:
C13H16O2
Molecular Weight:
204.2649
MDL Number:
MFCD00037152
IUPAC Name:
1-phenylcyclohexane-1-carboxylic acid
InChI:
InChI=1S/C13H16O2/c14-12(15)13(9-5-2-6-10-13)11-7-3-1-4-8-11/h1,3-4,7-8H,2,5-6,9-10H2,(H,14,15)
InChI Key:
QXXHHHWXFHPNOS-UHFFFAOYSA-N
SMILES:
OC(=O)C1(CCCCC1)c1ccccc1
EC Number:
214-495-8
NSC Number:
401913
Properties
Complexity:
223
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.115g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
204.269g/mol
Monoisotopic Mass:
204.115g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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