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114145-15-2 | Acetic acid, 2-cyano-2-(3,3,5-trimethylcyclohexylidene)-, ethyl ester
CAS No: 114145-15-2 Catalog No: AG000AOQ MDL No:
Product Description
Catalog Number:
AG000AOQ
Chemical Name:
Acetic acid, 2-cyano-2-(3,3,5-trimethylcyclohexylidene)-, ethyl ester
CAS Number:
114145-15-2
Molecular Formula:
C14H21NO2
Molecular Weight:
235.3220
IUPAC Name:
ethyl 2-cyano-2-(3,3,5-trimethylcyclohexylidene)acetate
InChI:
InChI=1S/C14H21NO2/c1-5-17-13(16)12(9-15)11-6-10(2)7-14(3,4)8-11/h10H,5-8H2,1-4H3
InChI Key:
NHSIQNFKWNVNMU-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(=C1CC(C)CC(C1)(C)C)C#N
Properties
Complexity:
384
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.157g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
235.327g/mol
Monoisotopic Mass:
235.157g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
50.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
3.3
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