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25142-44-3 | 1H-Pyrazole-3-ethanol, α,α-dimethyl-
CAS No: 25142-44-3 Catalog No: AG002QLP MDL No:
Product Description
Catalog Number:
AG002QLP
Chemical Name:
1H-Pyrazole-3-ethanol, α,α-dimethyl-
CAS Number:
25142-44-3
Molecular Formula:
C7H12N2O
Molecular Weight:
140.1830
IUPAC Name:
2-methyl-1-(1H-pyrazol-5-yl)propan-2-ol
InChI:
InChI=1S/C7H12N2O/c1-7(2,10)5-6-3-4-8-9-6/h3-4,10H,5H2,1-2H3,(H,8,9)
InChI Key:
HGTWOJBWQKHGKE-UHFFFAOYSA-N
SMILES:
CC(Cc1cc[nH]n1)(O)C
Properties
Complexity:
114
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
140.095g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
140.186g/mol
Monoisotopic Mass:
140.095g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
48.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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