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709039-11-2 | 3-ethoxy-2-(4-phenyl-1,3-thiazol-2-yl)prop-2-enenitrile
CAS No: 709039-11-2 Catalog No: AG019O7A MDL No:MFCD06655599
Product Description
Catalog Number:
AG019O7A
Chemical Name:
3-ethoxy-2-(4-phenyl-1,3-thiazol-2-yl)prop-2-enenitrile
CAS Number:
709039-11-2
Molecular Formula:
C14H12N2OS
Molecular Weight:
256.3229
MDL Number:
MFCD06655599
IUPAC Name:
3-ethoxy-2-(4-phenyl-1,3-thiazol-2-yl)prop-2-enenitrile
InChI:
InChI=1S/C14H12N2OS/c1-2-17-9-12(8-15)14-16-13(10-18-14)11-6-4-3-5-7-11/h3-7,9-10H,2H2,1H3
InChI Key:
WZYQNBCELHBVJK-UHFFFAOYSA-N
SMILES:
CCOC=C(c1scc(n1)c1ccccc1)C#N
Properties
Complexity:
341
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
256.067g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
256.323g/mol
Monoisotopic Mass:
256.067g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
74.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.9
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