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87997-40-8 | 7H-Furo[3,2-g][1]benzopyran-7-one, 4-(acetyloxy)-
CAS No: 87997-40-8 Catalog No: AG004NYO MDL No:
Product Description
Catalog Number:
AG004NYO
Chemical Name:
7H-Furo[3,2-g][1]benzopyran-7-one, 4-(acetyloxy)-
CAS Number:
87997-40-8
Molecular Formula:
C13H8O5
Molecular Weight:
244.1996
IUPAC Name:
(7-oxofuro[3,2-g]chromen-4-yl) acetate
InChI:
InChI=1S/C13H8O5/c1-7(14)17-13-8-2-3-12(15)18-11(8)6-10-9(13)4-5-16-10/h2-6H,1H3
InChI Key:
AZRCRZRFGJXBFW-UHFFFAOYSA-N
SMILES:
CC(=O)Oc1c2ccc(=O)oc2cc2c1cco2
Properties
Complexity:
402
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.037g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
244.202g/mol
Monoisotopic Mass:
244.037g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
65.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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