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155272-62-1 | 2H-1-Benzopyran-2-one, 7-[2-(1H-benzimidazol-1-yl)ethoxy]-
CAS No: 155272-62-1 Catalog No: AG001NS3 MDL No:
Product Description
Catalog Number:
AG001NS3
Chemical Name:
2H-1-Benzopyran-2-one, 7-[2-(1H-benzimidazol-1-yl)ethoxy]-
CAS Number:
155272-62-1
Molecular Formula:
C18H14N2O3
Molecular Weight:
306.3154
IUPAC Name:
7-[2-(benzimidazol-1-yl)ethoxy]chromen-2-one
InChI:
InChI=1S/C18H14N2O3/c21-18-8-6-13-5-7-14(11-17(13)23-18)22-10-9-20-12-19-15-3-1-2-4-16(15)20/h1-8,11-12H,9-10H2
InChI Key:
WOOGVKZQDMRNDR-UHFFFAOYSA-N
SMILES:
O=c1ccc2c(o1)cc(cc2)OCCn1cnc2c1cccc2
Properties
Complexity:
467
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
306.1g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
306.321g/mol
Monoisotopic Mass:
306.1g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
53.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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