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185382-44-9 | 4H-1-Benzopyran-4-one, 7-(acetyloxy)-3-(1H-benzimidazol-2-yl)-
CAS No: 185382-44-9 Catalog No: AG0077F6 MDL No:
Product Description
Catalog Number:
AG0077F6
Chemical Name:
4H-1-Benzopyran-4-one, 7-(acetyloxy)-3-(1H-benzimidazol-2-yl)-
CAS Number:
185382-44-9
Molecular Formula:
C18H12N2O4
Molecular Weight:
320.2989
IUPAC Name:
[3-(1H-benzimidazol-2-yl)-4-oxochromen-7-yl] acetate
InChI:
InChI=1S/C18H12N2O4/c1-10(21)24-11-6-7-12-16(8-11)23-9-13(17(12)22)18-19-14-4-2-3-5-15(14)20-18/h2-9H,1H3,(H,19,20)
InChI Key:
GBVNIZJMGPATDS-UHFFFAOYSA-N
SMILES:
CC(=O)Oc1ccc2c(c1)occ(c2=O)c1nc2c([nH]1)cccc2
Properties
Complexity:
561
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
320.08g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
320.304g/mol
Monoisotopic Mass:
320.08g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
81.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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