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123562-45-8 | 2-Propenoic acid, 3-[4-(dimethylamino)phenyl]-, phenylmethyl ester
CAS No: 123562-45-8 Catalog No: AG000KSN MDL No:
Product Description
Catalog Number:
AG000KSN
Chemical Name:
2-Propenoic acid, 3-[4-(dimethylamino)phenyl]-, phenylmethyl ester
CAS Number:
123562-45-8
Molecular Formula:
C18H19NO2
Molecular Weight:
281.3490
IUPAC Name:
benzyl 3-[4-(dimethylamino)phenyl]prop-2-enoate
InChI:
InChI=1S/C18H19NO2/c1-19(2)17-11-8-15(9-12-17)10-13-18(20)21-14-16-6-4-3-5-7-16/h3-13H,14H2,1-2H3
InChI Key:
MDJBDMZQKGOGCK-UHFFFAOYSA-N
SMILES:
CN(c1ccc(cc1)C=CC(=O)OCc1ccccc1)C
Properties
Complexity:
337
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
281.142g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
281.355g/mol
Monoisotopic Mass:
281.142g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.8
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