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85925-67-3 | 1(3H)-Isobenzofuranone, 3-hydroxy-5,7-dimethoxy-
CAS No: 85925-67-3 Catalog No: AG004QMA MDL No:
Product Description
Catalog Number:
AG004QMA
Chemical Name:
1(3H)-Isobenzofuranone, 3-hydroxy-5,7-dimethoxy-
CAS Number:
85925-67-3
Molecular Formula:
C10H10O5
Molecular Weight:
210.1834
IUPAC Name:
3-hydroxy-5,7-dimethoxy-3H-2-benzofuran-1-one
InChI:
InChI=1S/C10H10O5/c1-13-5-3-6-8(7(4-5)14-2)10(12)15-9(6)11/h3-4,9,11H,1-2H3
InChI Key:
PQKZXVQPXILLIC-UHFFFAOYSA-N
SMILES:
COc1cc(OC)c2c(c1)C(O)OC2=O
Properties
Complexity:
254
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
210.053g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
210.185g/mol
Monoisotopic Mass:
210.053g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
65A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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