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885520-18-3 | 1H-Indazole-3-carboxylicacid, 6-hydroxy-
CAS No: 885520-18-3 Catalog No: AG004CPI MDL No:MFCD07781442
Product Description
Catalog Number:
AG004CPI
Chemical Name:
1H-Indazole-3-carboxylicacid, 6-hydroxy-
CAS Number:
885520-18-3
Molecular Formula:
C8H6N2O3
Molecular Weight:
178.1448
MDL Number:
MFCD07781442
IUPAC Name:
6-hydroxy-1H-indazole-3-carboxylic acid
InChI:
InChI=1S/C8H6N2O3/c11-4-1-2-5-6(3-4)9-10-7(5)8(12)13/h1-3,11H,(H,9,10)(H,12,13)
InChI Key:
QKUPXKXLJARJPC-UHFFFAOYSA-N
SMILES:
Oc1ccc2c(c1)[nH]nc2C(=O)O
Properties
Complexity:
221
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.038g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
178.147g/mol
Monoisotopic Mass:
178.038g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
86.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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