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129-65-7 | Isobenzofuro[5,4-b]benzofuran-7-carboxylic acid, 1,3-dihydro-4,10-dihydroxy-8-methyl-3-oxo-
CAS No: 129-65-7 Catalog No: AG000YRB MDL No:
Product Description
Catalog Number:
AG000YRB
Chemical Name:
Isobenzofuro[5,4-b]benzofuran-7-carboxylic acid, 1,3-dihydro-4,10-dihydroxy-8-methyl-3-oxo-
CAS Number:
129-65-7
Molecular Formula:
C16H10O7
Molecular Weight:
314.2464
IUPAC Name:
4,10-dihydroxy-8-methyl-3-oxo-1H-[2]benzofuro[5,4-b][1]benzofuran-7-carboxylic acid
InChI:
InChI=1S/C16H10O7/c1-5-2-7(17)13-12-6-4-22-16(21)11(6)8(18)3-9(12)23-14(13)10(5)15(19)20/h2-3,17-18H,4H2,1H3,(H,19,20)
InChI Key:
QZYZPZAPRHESDA-UHFFFAOYSA-N
SMILES:
OC(=O)c1c(C)cc(c2c1oc1c2c2COC(=O)c2c(c1)O)O
UNII:
41W8H0315Z
NSC Number:
43330
Properties
Complexity:
535
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
314.043g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
314.249g/mol
Monoisotopic Mass:
314.043g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
117A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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