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852706-21-9 | 3-ethoxy-2-(4-phenyl-1,3-thiazol-2-yl)but-2-enenitrile
CAS No: 852706-21-9 Catalog No: AG019O76 MDL No:MFCD06655593
Product Description
Catalog Number:
AG019O76
Chemical Name:
3-ethoxy-2-(4-phenyl-1,3-thiazol-2-yl)but-2-enenitrile
CAS Number:
852706-21-9
Molecular Formula:
C15H14N2OS
Molecular Weight:
270.3495
MDL Number:
MFCD06655593
IUPAC Name:
3-ethoxy-2-(4-phenyl-1,3-thiazol-2-yl)but-2-enenitrile
InChI:
InChI=1S/C15H14N2OS/c1-3-18-11(2)13(9-16)15-17-14(10-19-15)12-7-5-4-6-8-12/h4-8,10H,3H2,1-2H3
InChI Key:
ZAJATULHJHVFFM-UHFFFAOYSA-N
SMILES:
CCOC(=C(c1scc(n1)c1ccccc1)C#N)C
Properties
Complexity:
379
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
270.083g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
270.35g/mol
Monoisotopic Mass:
270.083g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
74.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.3
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