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75702-84-0 | 1H-Pyrazol-4-ol, 1-(1-methylethyl)-
CAS No: 75702-84-0 Catalog No: AG005IU5 MDL No:MFCD23111111
Product Description
Catalog Number:
AG005IU5
Chemical Name:
1H-Pyrazol-4-ol, 1-(1-methylethyl)-
CAS Number:
75702-84-0
Molecular Formula:
C6H10N2O
Molecular Weight:
126.1564
MDL Number:
MFCD23111111
IUPAC Name:
1-propan-2-ylpyrazol-4-ol
InChI:
InChI=1S/C6H10N2O/c1-5(2)8-4-6(9)3-7-8/h3-5,9H,1-2H3
InChI Key:
GTVJTOUCOLLRGC-UHFFFAOYSA-N
SMILES:
CC(n1ncc(c1)O)C
Properties
Complexity:
95.1
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
126.079g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
126.159g/mol
Monoisotopic Mass:
126.079g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
38A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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