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100957-69-5 | 2-Propenoic acid, 2-cyano-3-[4-(diethylamino)phenyl]-, methyl ester
CAS No: 100957-69-5 Catalog No: AG0003AT MDL No:
Product Description
Catalog Number:
AG0003AT
Chemical Name:
2-Propenoic acid, 2-cyano-3-[4-(diethylamino)phenyl]-, methyl ester
CAS Number:
100957-69-5
Molecular Formula:
C15H18N2O2
Molecular Weight:
258.3156
IUPAC Name:
methyl 2-cyano-3-[4-(diethylamino)phenyl]prop-2-enoate
InChI:
InChI=1S/C15H18N2O2/c1-4-17(5-2)14-8-6-12(7-9-14)10-13(11-16)15(18)19-3/h6-10H,4-5H2,1-3H3
InChI Key:
DTTSVUFQILNUBD-UHFFFAOYSA-N
SMILES:
CCN(c1ccc(cc1)C=C(C(=O)OC)C#N)CC
Properties
Complexity:
369
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
258.137g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
258.321g/mol
Monoisotopic Mass:
258.137g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
53.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3
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