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178915-22-5 | 9H-Xanthene-4,5-dicarboxylic acid, 9,9-dimethyl-
CAS No: 178915-22-5 Catalog No: AG0026I0 MDL No:
Product Description
Catalog Number:
AG0026I0
Chemical Name:
9H-Xanthene-4,5-dicarboxylic acid, 9,9-dimethyl-
CAS Number:
178915-22-5
Molecular Formula:
C17H14O5
Molecular Weight:
298.2901
IUPAC Name:
9,9-dimethylxanthene-4,5-dicarboxylic acid
InChI:
InChI=1S/C17H14O5/c1-17(2)11-7-3-5-9(15(18)19)13(11)22-14-10(16(20)21)6-4-8-12(14)17/h3-8H,1-2H3,(H,18,19)(H,20,21)
InChI Key:
SHERBJQCYZAPRP-UHFFFAOYSA-N
SMILES:
OC(=O)c1cccc2c1Oc1c(cccc1C2(C)C)C(=O)O
Properties
Complexity:
432
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
298.084g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
298.294g/mol
Monoisotopic Mass:
298.084g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
83.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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