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122590-09-4 | 1,3-Isobenzofurandione, 5-[3-(acetyloxy)phenoxy]-
CAS No: 122590-09-4 Catalog No: AG0017I8 MDL No:
Product Description
Catalog Number:
AG0017I8
Chemical Name:
1,3-Isobenzofurandione, 5-[3-(acetyloxy)phenoxy]-
CAS Number:
122590-09-4
Molecular Formula:
C16H10O6
Molecular Weight:
298.2470
IUPAC Name:
[3-[(1,3-dioxo-2-benzofuran-5-yl)oxy]phenyl] acetate
InChI:
InChI=1S/C16H10O6/c1-9(17)20-10-3-2-4-11(7-10)21-12-5-6-13-14(8-12)16(19)22-15(13)18/h2-8H,1H3
InChI Key:
ZEBRHAVRTHMPPD-UHFFFAOYSA-N
SMILES:
CC(=O)Oc1cccc(c1)Oc1ccc2c(c1)C(=O)OC2=O
Properties
Complexity:
473
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
298.048g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
298.25g/mol
Monoisotopic Mass:
298.048g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
78.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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