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Home > Other Heterocycles > 79569-93-0
79569-93-0 | 2-Butenoic acid,2-cyano-4-(3,3-dimethylbicyclo[2.2.1]hept-2-yl)-, ethyl ester
CAS No: 79569-93-0 Catalog No: AG00585D MDL No:
Product Description
Catalog Number:
AG00585D
Chemical Name:
2-Butenoic acid,2-cyano-4-(3,3-dimethylbicyclo[2.2.1]hept-2-yl)-, ethyl ester
CAS Number:
79569-93-0
Molecular Formula:
C16H23NO2
Molecular Weight:
261.3593
IUPAC Name:
ethyl (E)-2-cyano-4-(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)but-2-enoate
InChI:
InChI=1S/C16H23NO2/c1-4-19-15(18)12(10-17)6-8-14-11-5-7-13(9-11)16(14,2)3/h6,11,13-14H,4-5,7-9H2,1-3H3/b12-6+
InChI Key:
FZWBEKGFRMVWMK-WUXMJOGZSA-N
SMILES:
CCOC(=O)C(=CCC1C2CCC(C1(C)C)C2)C#N
EC Number:
279-183-6
Properties
Complexity:
441
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
261.173g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
261.365g/mol
Monoisotopic Mass:
261.173g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
50.1A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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