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885520-57-0 | 6-Hydroxy-1H-indole-4-carboxylic acid
CAS No: 885520-57-0 Catalog No: AG0039YD MDL No:
Product Description
Catalog Number:
AG0039YD
Chemical Name:
6-Hydroxy-1H-indole-4-carboxylic acid
CAS Number:
885520-57-0
Molecular Formula:
C9H7NO3
Molecular Weight:
177.1568
IUPAC Name:
6-hydroxy-1H-indole-4-carboxylic acid
InChI:
InChI=1S/C9H7NO3/c11-5-3-7(9(12)13)6-1-2-10-8(6)4-5/h1-4,10-11H,(H,12,13)
InChI Key:
DVBOUYCBVGMBMR-UHFFFAOYSA-N
SMILES:
Oc1cc(C(=O)O)c2c(c1)[nH]cc2
Properties
Complexity:
219
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
177.043g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
177.159g/mol
Monoisotopic Mass:
177.043g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
73.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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