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29004-73-7 | 1H-Pyrazole-3-methanol, 5-methyl-
CAS No: 29004-73-7 Catalog No: AG0021EQ MDL No:MFCD00159583
Product Description
Catalog Number:
AG0021EQ
Chemical Name:
1H-Pyrazole-3-methanol, 5-methyl-
CAS Number:
29004-73-7
Molecular Formula:
C5H8N2O
Molecular Weight:
112.1298
MDL Number:
MFCD00159583
IUPAC Name:
(5-methyl-1H-pyrazol-3-yl)methanol
InChI:
InChI=1S/C5H8N2O/c1-4-2-5(3-8)7-6-4/h2,8H,3H2,1H3,(H,6,7)
InChI Key:
SYDSMFCVIJNHEN-UHFFFAOYSA-N
SMILES:
Cc1cc(n[nH]1)CO
Properties
Complexity:
76.8
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
112.064g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
112.132g/mol
Monoisotopic Mass:
112.064g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
48.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
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