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122590-10-7 | 1,3-Isobenzofurandione, 5-(2,6-dimethylphenoxy)-
CAS No: 122590-10-7 Catalog No: AG0017I7 MDL No:
Product Description
Catalog Number:
AG0017I7
Chemical Name:
1,3-Isobenzofurandione, 5-(2,6-dimethylphenoxy)-
CAS Number:
122590-10-7
Molecular Formula:
C16H12O4
Molecular Weight:
268.2641
IUPAC Name:
5-(2,6-dimethylphenoxy)-2-benzofuran-1,3-dione
InChI:
InChI=1S/C16H12O4/c1-9-4-3-5-10(2)14(9)19-11-6-7-12-13(8-11)16(18)20-15(12)17/h3-8H,1-2H3
InChI Key:
ZFRCBLLKGGXOGG-UHFFFAOYSA-N
SMILES:
O=C1OC(=O)c2c1cc(cc2)Oc1c(C)cccc1C
Properties
Complexity:
395
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
268.074g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
268.268g/mol
Monoisotopic Mass:
268.074g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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