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148050-69-5 | 1H-Indene-4-carboxylic acid, 2,3-dihydro-6,7-dihydroxy-1-oxo-
CAS No: 148050-69-5 Catalog No: AG001FEU MDL No:
Product Description
Catalog Number:
AG001FEU
Chemical Name:
1H-Indene-4-carboxylic acid, 2,3-dihydro-6,7-dihydroxy-1-oxo-
CAS Number:
148050-69-5
Molecular Formula:
C10H8O5
Molecular Weight:
208.1675
IUPAC Name:
6,7-dihydroxy-1-oxo-2,3-dihydroindene-4-carboxylic acid
InChI:
InChI=1S/C10H8O5/c11-6-2-1-4-5(10(14)15)3-7(12)9(13)8(4)6/h3,12-13H,1-2H2,(H,14,15)
InChI Key:
SVQPYDSJBWIOJK-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc(O)c(c2c1CCC2=O)O
Properties
Complexity:
300
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.037g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
208.169g/mol
Monoisotopic Mass:
208.037g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
94.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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