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78873-84-4 | 5H-1,3-Dioxolo[4,5-g][2]benzopyran-8-carboxylic acid, 7-methyl-5-oxo-
CAS No: 78873-84-4 Catalog No: AG005530 MDL No:
Product Description
Catalog Number:
AG005530
Chemical Name:
5H-1,3-Dioxolo[4,5-g][2]benzopyran-8-carboxylic acid, 7-methyl-5-oxo-
CAS Number:
78873-84-4
Molecular Formula:
C12H8O6
Molecular Weight:
248.1883
IUPAC Name:
7-methyl-5-oxo-[1,3]dioxolo[4,5-g]isochromene-8-carboxylic acid
InChI:
InChI=1S/C12H8O6/c1-5-10(11(13)14)6-2-8-9(17-4-16-8)3-7(6)12(15)18-5/h2-3H,4H2,1H3,(H,13,14)
InChI Key:
SXUQKOYVMXNTTO-UHFFFAOYSA-N
SMILES:
OC(=O)c1c(C)oc(=O)c2c1cc1OCOc1c2
Properties
Complexity:
440
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.032g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
248.19g/mol
Monoisotopic Mass:
248.032g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
82.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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