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126434-73-9 | 1H-Indole-2-carboxylic acid, 5,6-dihydroxy-1-methyl-
CAS No: 126434-73-9 Catalog No: AG000SSJ MDL No:
Product Description
Catalog Number:
AG000SSJ
Chemical Name:
1H-Indole-2-carboxylic acid, 5,6-dihydroxy-1-methyl-
CAS Number:
126434-73-9
Molecular Formula:
C10H9NO4
Molecular Weight:
207.1828
IUPAC Name:
5,6-dihydroxy-1-methylindole-2-carboxylic acid
InChI:
InChI=1S/C10H9NO4/c1-11-6-4-9(13)8(12)3-5(6)2-7(11)10(14)15/h2-4,12-13H,1H3,(H,14,15)
InChI Key:
LKKBPYKGIFSFTQ-UHFFFAOYSA-N
SMILES:
Oc1cc2c(cc1O)cc(n2C)C(=O)O
Properties
Complexity:
270
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
207.053g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
207.185g/mol
Monoisotopic Mass:
207.053g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
82.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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