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93072-95-8 | 5H-[1]Benzopyrano[4,3-b]pyridin-5-one, 3-(2-benzoxazolyl)-
CAS No: 93072-95-8 Catalog No: AG006J56 MDL No:
Product Description
Catalog Number:
AG006J56
Chemical Name:
5H-[1]Benzopyrano[4,3-b]pyridin-5-one, 3-(2-benzoxazolyl)-
CAS Number:
93072-95-8
Molecular Formula:
C19H10N2O3
Molecular Weight:
314.2943
IUPAC Name:
3-(1,3-benzoxazol-2-yl)chromeno[4,3-b]pyridin-5-one
InChI:
InChI=1S/C19H10N2O3/c22-19-13-9-11(18-21-14-6-2-4-8-16(14)23-18)10-20-17(13)12-5-1-3-7-15(12)24-19/h1-10H
InChI Key:
ASWJVGZAXQQGSB-UHFFFAOYSA-N
SMILES:
O=c1oc2ccccc2c2c1cc(cn2)c1nc2c(o1)cccc2
Properties
Complexity:
499
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
314.069g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
314.3g/mol
Monoisotopic Mass:
314.069g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
65.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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