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84185-72-8

84185-72-8 | 1,3-Isobenzofurandione, 4-hydroxy-7-(4-methoxyphenyl)-

CAS No: 84185-72-8 Catalog No: AG004P3V MDL No:

Product Description

Catalog Number:
AG004P3V
Chemical Name:
1,3-Isobenzofurandione, 4-hydroxy-7-(4-methoxyphenyl)-
CAS Number:
84185-72-8
Molecular Formula:
C15H10O5
Molecular Weight:
270.2369
IUPAC Name:
4-hydroxy-7-(4-methoxyphenyl)-2-benzofuran-1,3-dione
InChI:
InChI=1S/C15H10O5/c1-19-9-4-2-8(3-5-9)10-6-7-11(16)13-12(10)14(17)20-15(13)18/h2-7,16H,1H3
InChI Key:
ZHFSFGWEHKATKK-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)c1ccc(c2c1C(=O)OC2=O)O

Properties

Complexity:
399  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
270.053g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
270.24g/mol
Monoisotopic Mass:
270.053g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
72.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1  

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