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5232-99-5 | Ethyl 2-cyano-3,3-diphenylacrylate
CAS No: 5232-99-5 Catalog No: AG003H3W MDL No:MFCD00027364
Product Description
Catalog Number:
AG003H3W
Chemical Name:
Ethyl 2-cyano-3,3-diphenylacrylate
CAS Number:
5232-99-5
Molecular Formula:
C18H15NO2
Molecular Weight:
277.3172
MDL Number:
MFCD00027364
IUPAC Name:
ethyl 2-cyano-3,3-diphenylprop-2-enoate
InChI:
InChI=1S/C18H15NO2/c1-2-21-18(20)16(13-19)17(14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-12H,2H2,1H3
InChI Key:
IAJNXBNRYMEYAZ-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(=C(c1ccccc1)c1ccccc1)C#N
EC Number:
226-029-0
UNII:
974109G71I
NSC Number:
52678
Properties
Complexity:
411
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
277.11g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
277.323g/mol
Monoisotopic Mass:
277.11g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
50.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
Literature
| Title | Journal |
|---|---|
| [Estrogenic activity of ultraviolet absorbers and the related compounds]. | Yakugaku zasshi : Journal of the Pharmaceutical Society of Japan 20050801 |
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