Home Carboxys Cyclohexanecarboxylic acid, 1-cyano- (9CI)

Cyclohexanecarboxylic acid, 1-cyano- (9CI)

CAS No.:
227203-34-1
Catalog Number:
AG00BOHD
Molecular Formula:
C8H11NO2
Molecular Weight:
153.1784
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Product Description
Catalog Number:
AG00BOHD
Chemical Name:
Cyclohexanecarboxylic acid, 1-cyano- (9CI)
CAS Number:
227203-34-1
Molecular Formula:
C8H11NO2
Molecular Weight:
153.1784
MDL Number:
MFCD02317148
IUPAC Name:
1-cyanocyclohexane-1-carboxylic acid
InChI:
InChI=1S/C8H11NO2/c9-6-8(7(10)11)4-2-1-3-5-8/h1-5H2,(H,10,11)
InChI Key:
ISEJXQAAWBXLGB-UHFFFAOYSA-N
SMILES:
N#CC1(CCCCC1)C(=O)O
Properties
Complexity:
207  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
153.079g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
153.181g/mol
Monoisotopic Mass:
153.079g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
61.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  
Properties