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15721-32-1 | 2-Propenoic acid, 2-cyano-, 2-ethylhexyl ester
CAS No: 15721-32-1 Catalog No: AG001PB2 MDL No:
Product Description
Catalog Number:
AG001PB2
Chemical Name:
2-Propenoic acid, 2-cyano-, 2-ethylhexyl ester
CAS Number:
15721-32-1
Molecular Formula:
C12H19NO2
Molecular Weight:
209.2848
IUPAC Name:
2-ethylhexyl 2-cyanoprop-2-enoate
InChI:
InChI=1S/C12H19NO2/c1-4-6-7-11(5-2)9-15-12(14)10(3)8-13/h11H,3-7,9H2,1-2H3
InChI Key:
WXAFTQJQXYGOKV-UHFFFAOYSA-N
SMILES:
CCCCC(COC(=O)C(=C)C#N)CC
Properties
Complexity:
262
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
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:
8
Topological Polar Surface Area:
50.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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