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89779-30-6 | 2-Pentenedioic acid, 3-amino-2-cyano-, diethyl ester, (E)-
CAS No: 89779-30-6 Catalog No: AG00400F MDL No:
Product Description
Catalog Number:
AG00400F
Chemical Name:
2-Pentenedioic acid, 3-amino-2-cyano-, diethyl ester, (E)-
CAS Number:
89779-30-6
Molecular Formula:
C10H14N2O4
Molecular Weight:
226.2292
IUPAC Name:
diethyl 3-amino-2-cyanopent-2-enedioate
InChI:
InChI=1S/C10H14N2O4/c1-3-15-9(13)5-8(12)7(6-11)10(14)16-4-2/h3-5,12H2,1-2H3
InChI Key:
AHUNWNFEFPPLRL-UHFFFAOYSA-N
SMILES:
CCOC(=O)C/C(=C(\C(=O)OCC)/C#N)/N
Properties
Complexity:
351
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.095g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
226.232g/mol
Monoisotopic Mass:
226.095g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
102A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
0.7
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