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130065-93-9 | Acetic acid, 2-cyano-2-(4,4-dipropylcyclohexylidene)-, ethyl ester
CAS No: 130065-93-9 Catalog No: AG000TZ7 MDL No:
Product Description
Catalog Number:
AG000TZ7
Chemical Name:
Acetic acid, 2-cyano-2-(4,4-dipropylcyclohexylidene)-, ethyl ester
CAS Number:
130065-93-9
Molecular Formula:
C17H27NO2
Molecular Weight:
277.4018
IUPAC Name:
ethyl 2-cyano-2-(4,4-dipropylcyclohexylidene)acetate
InChI:
InChI=1S/C17H27NO2/c1-4-9-17(10-5-2)11-7-14(8-12-17)15(13-18)16(19)20-6-3/h4-12H2,1-3H3
InChI Key:
BONPBMWXPLIRSU-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(=C1CCC(CC1)(CCC)CCC)C#N
Properties
Complexity:
396
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
277.204g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
277.408g/mol
Monoisotopic Mass:
277.204g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
50.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.2
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