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87997-41-9 | 7H-Furo[3,2-g][1]benzopyran-7-one, 4-(benzoyloxy)-
CAS No: 87997-41-9 Catalog No: AG004H8Q MDL No:
Product Description
Catalog Number:
AG004H8Q
Chemical Name:
7H-Furo[3,2-g][1]benzopyran-7-one, 4-(benzoyloxy)-
CAS Number:
87997-41-9
Molecular Formula:
C18H10O5
Molecular Weight:
306.2690
IUPAC Name:
(7-oxofuro[3,2-g]chromen-4-yl) benzoate
InChI:
InChI=1S/C18H10O5/c19-16-7-6-12-15(22-16)10-14-13(8-9-21-14)17(12)23-18(20)11-4-2-1-3-5-11/h1-10H
InChI Key:
CMLAYTFYQIFHMJ-UHFFFAOYSA-N
SMILES:
O=c1ccc2c(o1)cc1c(c2OC(=O)c2ccccc2)cco1
Properties
Complexity:
508
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
306.053g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
306.273g/mol
Monoisotopic Mass:
306.053g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
65.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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