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875783-35-0 | 2-Pentenoic acid, 5,5-dicyano-, ethyl ester, (2E)-
CAS No: 875783-35-0 Catalog No: AG004QZG MDL No:
Product Description
Catalog Number:
AG004QZG
Chemical Name:
2-Pentenoic acid, 5,5-dicyano-, ethyl ester, (2E)-
CAS Number:
875783-35-0
Molecular Formula:
C9H10N2O2
Molecular Weight:
178.1879
IUPAC Name:
ethyl 5,5-dicyanopent-2-enoate
InChI:
InChI=1S/C9H10N2O2/c1-2-13-9(12)5-3-4-8(6-10)7-11/h3,5,8H,2,4H2,1H3
InChI Key:
RHYJYYXCTJUTCF-UHFFFAOYSA-N
SMILES:
CCOC(=O)/C=C/CC(C#N)C#N
Properties
Complexity:
273
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.074g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
178.191g/mol
Monoisotopic Mass:
178.074g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
73.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
0.9
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