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115720-23-5 | Cyclohexanecarboxylic acid, 2-cyano-
CAS No: 115720-23-5 Catalog No: AG000GSQ MDL No:
Product Description
Catalog Number:
AG000GSQ
Chemical Name:
Cyclohexanecarboxylic acid, 2-cyano-
CAS Number:
115720-23-5
Molecular Formula:
C8H11NO2
Molecular Weight:
153.1784
IUPAC Name:
2-cyanocyclohexane-1-carboxylic acid
InChI:
InChI=1S/C8H11NO2/c9-5-6-3-1-2-4-7(6)8(10)11/h6-7H,1-4H2,(H,10,11)
InChI Key:
RTGNUEPVEHANTN-UHFFFAOYSA-N
SMILES:
N#CC1CCCCC1C(=O)O
Properties
Complexity:
203
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:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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