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1260795-73-0 | Cyclohexanecarboxylic acid, 4-amino-4-cyano-, ethyl ester
CAS No: 1260795-73-0 Catalog No: AG000RAO MDL No:
Product Description
Catalog Number:
AG000RAO
Chemical Name:
Cyclohexanecarboxylic acid, 4-amino-4-cyano-, ethyl ester
CAS Number:
1260795-73-0
Molecular Formula:
C10H16N2O2
Molecular Weight:
196.2462
IUPAC Name:
ethyl 4-amino-4-cyanocyclohexane-1-carboxylate
InChI:
InChI=1S/C10H16N2O2/c1-2-14-9(13)8-3-5-10(12,7-11)6-4-8/h8H,2-6,12H2,1H3
InChI Key:
WDRNIXDEWRMFRZ-UHFFFAOYSA-N
SMILES:
CCOC(=O)C1CCC(CC1)(N)C#N
Properties
Complexity:
259
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.121g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
196.25g/mol
Monoisotopic Mass:
196.121g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
76.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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