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64887-41-8 | 2H,5H-Pyrano[3,2-c][1]benzopyran-2,5-dione, 3-(2-benzoxazolyl)-
CAS No: 64887-41-8 Catalog No: AG006SA0 MDL No:
Product Description
Catalog Number:
AG006SA0
Chemical Name:
2H,5H-Pyrano[3,2-c][1]benzopyran-2,5-dione, 3-(2-benzoxazolyl)-
CAS Number:
64887-41-8
Molecular Formula:
C19H9NO5
Molecular Weight:
331.2785
IUPAC Name:
3-(1,3-benzoxazol-2-yl)pyrano[3,2-c]chromene-2,5-dione
InChI:
InChI=1S/C19H9NO5/c21-18-11-9-12(17-20-13-6-2-4-8-15(13)23-17)19(22)25-16(11)10-5-1-3-7-14(10)24-18/h1-9H
InChI Key:
AGSDULBLVMKBBU-UHFFFAOYSA-N
SMILES:
O=c1oc2c(cc1c1nc3c(o1)cccc3)c(=O)oc1c2cccc1
Properties
Complexity:
681
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
331.048g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
331.283g/mol
Monoisotopic Mass:
331.048g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
78.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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