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19145-79-0 | 2-Propenoic acid, 2-cyano-3-[(3-methylphenyl)amino]-, ethyl ester, (Z)- (9CI)
CAS No: 19145-79-0 Catalog No: AG002F8Z MDL No:
Product Description
Catalog Number:
AG002F8Z
Chemical Name:
2-Propenoic acid, 2-cyano-3-[(3-methylphenyl)amino]-, ethyl ester, (Z)- (9CI)
CAS Number:
19145-79-0
Molecular Formula:
C13H14N2O2
Molecular Weight:
230.2625
IUPAC Name:
ethyl 2-cyano-3-(3-methylanilino)prop-2-enoate
InChI:
InChI=1S/C13H14N2O2/c1-3-17-13(16)11(8-14)9-15-12-6-4-5-10(2)7-12/h4-7,9,15H,3H2,1-2H3
InChI Key:
SGWUEBFBGVJLBH-UHFFFAOYSA-N
SMILES:
CCOC(=O)/C(=C\Nc1cccc(c1)C)/C#N
Properties
Complexity:
341
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:
5
Topological Polar Surface Area:
62.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.1
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