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1H-Pyrazol-4-ylmethanol

CAT: 0926-FP134472-01Size: 10 gDry Ice: NoHazardous: No
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CAT#:0926-FP134472-01Size:10 g
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CAS Number
25222-43-9
Synonyms
1H-pyrazole-4-methanol
MDL Number
MFCD06797673
Smiles
C1=C (C=NN1) CO
Molecular Formula
C4H6N2O
Molecular Weight
98.1 g/mol
Controlled
No

Chemical Information

4-Hydroxymethylpyrazole

4-Hydroxymethylpyrazole is a member of pyrazoles.

CAS Number25222-43-9
PubChem CID3015210
IUPAC Name1H-pyrazol-4-ylmethanol
Molecular FormulaC4H6N2O
Molecular Weight98.10
XLogP0.2
Topological Polar Surface Area48.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count7
Formal Charge0
Complexity57
SMILES
C1=C(C=NN1)CO
InChI
InChI=1S/C4H6N2O/c7-3-4-1-5-6-2-4/h1-2,7H,3H2,(H,5,6)
InChIKey
JRMKJOOJKCAEJK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-Hydroxymethylpyrazole
CAS: 25222-43-9
CID: 3015210
Formula: C4H6N2O
MW: 98.10
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight98.10
XLogP30.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass98.048012819
Monoisotopic Mass98.048012819
Topological Polar Surface Area48.9 Ų
Heavy Atom Count7
Formal Charge0
Complexity57.7
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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