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735269-97-3 | cis-4-(4-Cyanobenzoyl)cyclohexane-1-carboxylic acid
CAS No: 735269-97-3 Catalog No: AG01F8W8 MDL No:
Product Description
Catalog Number:
AG01F8W8
Chemical Name:
cis-4-(4-Cyanobenzoyl)cyclohexane-1-carboxylic acid
CAS Number:
735269-97-3
Molecular Formula:
C15H15NO3
Molecular Weight:
257.2845
IUPAC Name:
4-(4-cyanobenzoyl)cyclohexane-1-carboxylic acid
InChI:
InChI=1S/C15H15NO3/c16-9-10-1-3-11(4-2-10)14(17)12-5-7-13(8-6-12)15(18)19/h1-4,12-13H,5-8H2,(H,18,19)
InChI Key:
KSHPJPJXUBRPEF-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cc1)C(=O)[C@@H]1CC[C@@H](CC1)C(=O)O
Properties
Complexity:
393
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.105g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
257.289g/mol
Monoisotopic Mass:
257.105g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
78.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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