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124709-21-3 | 1H-Indene-3-carboxylic acid, 1-sulfo-
CAS No: 124709-21-3 Catalog No: AG000MNM MDL No:
Product Description
Catalog Number:
AG000MNM
Chemical Name:
1H-Indene-3-carboxylic acid, 1-sulfo-
CAS Number:
124709-21-3
Molecular Formula:
C10H8O5S
Molecular Weight:
240.2325
IUPAC Name:
3-sulfo-3H-indene-1-carboxylic acid
InChI:
InChI=1S/C10H8O5S/c11-10(12)8-5-9(16(13,14)15)7-4-2-1-3-6(7)8/h1-5,9H,(H,11,12)(H,13,14,15)
InChI Key:
VLEDYLAQQGDCLA-UHFFFAOYSA-N
SMILES:
OC(=O)C1=CC(c2c1cccc2)S(=O)(=O)O
Properties
Complexity:
431
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.009g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
240.229g/mol
Monoisotopic Mass:
240.009g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
100A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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