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7144-24-3 | ethyl (Z)-3-(benzylamino)-2-cyano-prop-2-enoate
CAS No: 7144-24-3 Catalog No: AG005IL2 MDL No:
Product Description
Catalog Number:
AG005IL2
Chemical Name:
ethyl (Z)-3-(benzylamino)-2-cyano-prop-2-enoate
CAS Number:
7144-24-3
Molecular Formula:
C13H14N2O2
Molecular Weight:
230.2625
IUPAC Name:
ethyl 3-(benzylamino)-2-cyanoprop-2-enoate
InChI:
InChI=1S/C13H14N2O2/c1-2-17-13(16)12(8-14)10-15-9-11-6-4-3-5-7-11/h3-7,10,15H,2,9H2,1H3
InChI Key:
NMRDIDPZUDDKTP-UHFFFAOYSA-N
SMILES:
CCOC(=O)/C(=C\NCc1ccccc1)/C#N
Properties
Complexity:
322
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.106g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
230.267g/mol
Monoisotopic Mass:
230.106g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
62.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.7
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