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132465-11-3 | 2-Propenoic acid, 2-cyano-3-(3,4-dihydroxyphenyl)-, 3-phenyl-2-propen-1-yl ester, (2E)-
CAS No: 132465-11-3 Catalog No: AG0010Q7 MDL No:
Product Description
Catalog Number:
AG0010Q7
Chemical Name:
2-Propenoic acid, 2-cyano-3-(3,4-dihydroxyphenyl)-, 3-phenyl-2-propen-1-yl ester, (2E)-
CAS Number:
132465-11-3
Molecular Formula:
C19H15NO4
Molecular Weight:
321.3267
IUPAC Name:
[(E)-3-phenylprop-2-enyl] (E)-2-cyano-3-(3,4-dihydroxyphenyl)prop-2-enoate
InChI:
InChI=1S/C19H15NO4/c20-13-16(11-15-8-9-17(21)18(22)12-15)19(23)24-10-4-7-14-5-2-1-3-6-14/h1-9,11-12,21-22H,10H2/b7-4+,16-11+
InChI Key:
XGHYFEJMJXGPGN-UYHGDYIZSA-N
SMILES:
N#C/C(=C\c1ccc(c(c1)O)O)/C(=O)OCC=Cc1ccccc1
Properties
Complexity:
525
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
2
Exact Mass:
321.1g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
321.332g/mol
Monoisotopic Mass:
321.1g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
90.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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