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100643-09-2 | 2-Propenoic acid, 2-cyano-3-(propylamino)-, ethyl ester, (Z)- (9CI)
CAS No: 100643-09-2 Catalog No: AG0002KD MDL No:
Product Description
Catalog Number:
AG0002KD
Chemical Name:
2-Propenoic acid, 2-cyano-3-(propylamino)-, ethyl ester, (Z)- (9CI)
CAS Number:
100643-09-2
Molecular Formula:
C9H14N2O2
Molecular Weight:
182.2197
IUPAC Name:
ethyl 2-cyano-3-(propylamino)prop-2-enoate
InChI:
InChI=1S/C9H14N2O2/c1-3-5-11-7-8(6-10)9(12)13-4-2/h7,11H,3-5H2,1-2H3
InChI Key:
YWXOVZNRYQMZRZ-UHFFFAOYSA-N
SMILES:
CCCN/C=C(\C(=O)OCC)/C#N
Properties
Complexity:
237
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.106g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
182.223g/mol
Monoisotopic Mass:
182.106g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
62.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.1
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