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160940-33-0 | 2-Propenoic acid, 3-phenyl-, (3,5-diaminophenyl)methyl ester
CAS No: 160940-33-0 Catalog No: AG001VI8 MDL No:
Product Description
Catalog Number:
AG001VI8
Chemical Name:
2-Propenoic acid, 3-phenyl-, (3,5-diaminophenyl)methyl ester
CAS Number:
160940-33-0
Molecular Formula:
C16H16N2O2
Molecular Weight:
268.3104
IUPAC Name:
(3,5-diaminophenyl)methyl 3-phenylprop-2-enoate
InChI:
InChI=1S/C16H16N2O2/c17-14-8-13(9-15(18)10-14)11-20-16(19)7-6-12-4-2-1-3-5-12/h1-10H,11,17-18H2
InChI Key:
QAZVDPRQTCENSC-UHFFFAOYSA-N
SMILES:
O=C(C=Cc1ccccc1)OCc1cc(N)cc(c1)N
Properties
Complexity:
327
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
268.121g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
268.316g/mol
Monoisotopic Mass:
268.121g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
78.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.3
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