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162882-36-2 | 2-Propenoic acid, 2-cyano-3-[4-(phenylmethoxy)phenyl]-
CAS No: 162882-36-2 Catalog No: AG001TIK MDL No:
Product Description
Catalog Number:
AG001TIK
Chemical Name:
2-Propenoic acid, 2-cyano-3-[4-(phenylmethoxy)phenyl]-
CAS Number:
162882-36-2
Molecular Formula:
C17H13NO3
Molecular Weight:
279.2900
IUPAC Name:
2-cyano-3-(4-phenylmethoxyphenyl)prop-2-enoic acid
InChI:
InChI=1S/C17H13NO3/c18-11-15(17(19)20)10-13-6-8-16(9-7-13)21-12-14-4-2-1-3-5-14/h1-10H,12H2,(H,19,20)
InChI Key:
YQASXVJGRZKXLK-UHFFFAOYSA-N
SMILES:
N#CC(=Cc1ccc(cc1)OCc1ccccc1)C(=O)O
Properties
Complexity:
421
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
279.09g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
279.295g/mol
Monoisotopic Mass:
279.09g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
70.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.3
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