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1167055-71-1 | 1H-Indazole-3,4-dimethanol
CAS No: 1167055-71-1 Catalog No: AG000D1Z MDL No:MFCD11845649
Product Description
Catalog Number:
AG000D1Z
Chemical Name:
1H-Indazole-3,4-dimethanol
CAS Number:
1167055-71-1
Molecular Formula:
C9H10N2O2
Molecular Weight:
178.1879
MDL Number:
MFCD11845649
IUPAC Name:
[3-(hydroxymethyl)-2H-indazol-4-yl]methanol
InChI:
InChI=1S/C9H10N2O2/c12-4-6-2-1-3-7-9(6)8(5-13)11-10-7/h1-3,12-13H,4-5H2,(H,10,11)
InChI Key:
KUYVNYBNPVSXML-UHFFFAOYSA-N
SMILES:
OCc1cccc2c1c(CO)n[nH]2
Properties
Complexity:
177
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.074g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
178.191g/mol
Monoisotopic Mass:
178.074g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
69.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
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