Home Other Building Blocks 4-(1H-pyrazol-1-yl)butan-2-ol

4-(1H-pyrazol-1-yl)butan-2-ol

CAS No.:
1250425-31-0
Catalog Number:
AG01A4YH
Molecular Formula:
C7H12N2O
Molecular Weight:
140.1830
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Product Description
Catalog Number:
AG01A4YH
Chemical Name:
4-(1H-pyrazol-1-yl)butan-2-ol
CAS Number:
1250425-31-0
Molecular Formula:
C7H12N2O
Molecular Weight:
140.1830
MDL Number:
MFCD16101821
IUPAC Name:
4-pyrazol-1-ylbutan-2-ol
InChI:
InChI=1S/C7H12N2O/c1-7(10)3-6-9-5-2-4-8-9/h2,4-5,7,10H,3,6H2,1H3
InChI Key:
JKIATZCBNIISLE-UHFFFAOYSA-N
SMILES:
CC(CCn1cccn1)O
Properties
Complexity:
97.6  
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:
1  
Isotope Atom Count:
0
Molecular Weight:
140.186g/mol
Monoisotopic Mass:
140.095g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
38A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3  
Properties