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97004-78-9 | 2H-1-Benzopyran-2-one, 7-(acetyloxy)-3-(2-benzoxazolyl)-
CAS No: 97004-78-9 Catalog No: AG01FP05 MDL No:
Product Description
Catalog Number:
AG01FP05
Chemical Name:
2H-1-Benzopyran-2-one, 7-(acetyloxy)-3-(2-benzoxazolyl)-
CAS Number:
97004-78-9
IUPAC Name:
[3-(1,3-benzoxazol-2-yl)-2-oxochromen-7-yl] acetate
InChI:
InChI=1S/C18H11NO5/c1-10(20)22-12-7-6-11-8-13(18(21)24-16(11)9-12)17-19-14-4-2-3-5-15(14)23-17/h2-9H,1H3
InChI Key:
QOLATYAXPIUNJO-UHFFFAOYSA-N
Properties
Complexity:
560
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
321.064g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
321.288g/mol
Monoisotopic Mass:
321.064g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
78.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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