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130570-39-7 | 1H-Indole-2-carboxylic acid, 5,6,7-trihydroxy-
CAS No: 130570-39-7 Catalog No: AG000UN2 MDL No:
Product Description
Catalog Number:
AG000UN2
Chemical Name:
1H-Indole-2-carboxylic acid, 5,6,7-trihydroxy-
CAS Number:
130570-39-7
Molecular Formula:
C9H7NO5
Molecular Weight:
209.1556
IUPAC Name:
5,6,7-trihydroxy-1H-indole-2-carboxylic acid
InChI:
InChI=1S/C9H7NO5/c11-5-2-3-1-4(9(14)15)10-6(3)8(13)7(5)12/h1-2,10-13H,(H,14,15)
InChI Key:
DKYADJYLLZSUSM-UHFFFAOYSA-N
SMILES:
Oc1cc2cc([nH]c2c(c1O)O)C(=O)O
Properties
Complexity:
271
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
209.032g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
5
Isotope Atom Count:
0
Molecular Weight:
209.157g/mol
Monoisotopic Mass:
209.032g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
114A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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