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85392-13-8 | 3-Hexenoicacid, 2-cyano-2-ethyl-3-methyl-, ethyl ester
CAS No: 85392-13-8 Catalog No: AG008FCF MDL No:
Product Description
Catalog Number:
AG008FCF
Chemical Name:
3-Hexenoicacid, 2-cyano-2-ethyl-3-methyl-, ethyl ester
CAS Number:
85392-13-8
Molecular Formula:
C12H19NO2
Molecular Weight:
209.2848
IUPAC Name:
ethyl (E)-2-cyano-2-ethyl-3-methylhex-3-enoate
InChI:
InChI=1S/C12H19NO2/c1-5-8-10(4)12(6-2,9-13)11(14)15-7-3/h8H,5-7H2,1-4H3/b10-8+
InChI Key:
WGRSGSSXYRCXSF-CSKARUKUSA-N
SMILES:
CCOC(=O)C(C(=CCC)C)(C#N)CC
EC Number:
286-870-4
Properties
Complexity:
298
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
209.142g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
209.289g/mol
Monoisotopic Mass:
209.142g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
50.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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