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313687-30-8 | (2E)-3-(furan-2-yl)-2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]prop-2-enenitrile
CAS No: 313687-30-8 Catalog No: AG00IVTP MDL No:MFCD00807579
Product Description
Catalog Number:
AG00IVTP
Chemical Name:
(2E)-3-(furan-2-yl)-2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]prop-2-enenitrile
CAS Number:
313687-30-8
Molecular Formula:
C17H12N2O2S
Molecular Weight:
308.3544
MDL Number:
MFCD00807579
IUPAC Name:
3-(furan-2-yl)-2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]prop-2-enenitrile
InChI:
InChI=1S/C17H12N2O2S/c1-20-14-6-4-12(5-7-14)16-11-22-17(19-16)13(10-18)9-15-3-2-8-21-15/h2-9,11H,1H3
InChI Key:
DZYBOCKWMRGFHZ-UHFFFAOYSA-N
SMILES:
N#C/C(=C\c1ccco1)/c1scc(n1)c1ccc(cc1)OC
Properties
Complexity:
451
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
308.062g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
308.355g/mol
Monoisotopic Mass:
308.062g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
87.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.5
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