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898778-22-8 | 2-(4-CYANOBENZOYL)-5-(1,3-DIOXOLAN-2-YL)THIOPHENE
CAS No: 898778-22-8 Catalog No: AG006JVI MDL No:
Product Description
Catalog Number:
AG006JVI
Chemical Name:
2-(4-CYANOBENZOYL)-5-(1,3-DIOXOLAN-2-YL)THIOPHENE
CAS Number:
898778-22-8
Molecular Formula:
C15H11NO3S
Molecular Weight:
285.3177
IUPAC Name:
4-[5-(1,3-dioxolan-2-yl)thiophene-2-carbonyl]benzonitrile
InChI:
InChI=1S/C15H11NO3S/c16-9-10-1-3-11(4-2-10)14(17)12-5-6-13(20-12)15-18-7-8-19-15/h1-6,15H,7-8H2
InChI Key:
ONEATJWTVLLDFY-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cc1)C(=O)c1ccc(s1)C1OCCO1
Properties
Complexity:
405
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
285.046g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
285.317g/mol
Monoisotopic Mass:
285.046g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
87.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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