Home Other Building Blocks (3-(tert-butyl)-1-methyl-1H-pyrazol-4-yl)methanol

(3-(tert-butyl)-1-methyl-1H-pyrazol-4-yl)methanol

CAS No.:
1492080-32-6
Catalog Number:
AG01BTSO
Molecular Formula:
C9H16N2O
Molecular Weight:
168.2361
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Product Description
Catalog Number:
AG01BTSO
Chemical Name:
(3-(tert-butyl)-1-methyl-1H-pyrazol-4-yl)methanol
CAS Number:
1492080-32-6
Molecular Formula:
C9H16N2O
Molecular Weight:
168.2361
MDL Number:
MFCD21667001
IUPAC Name:
(3-tert-butyl-1-methylpyrazol-4-yl)methanol
InChI:
InChI=1S/C9H16N2O/c1-9(2,3)8-7(6-12)5-11(4)10-8/h5,12H,6H2,1-4H3
InChI Key:
BNWMLWLFEURUHQ-UHFFFAOYSA-N
SMILES:
OCc1cn(nc1C(C)(C)C)C
Properties
Complexity:
153  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
168.126g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
168.24g/mol
Monoisotopic Mass:
168.126g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
38A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1  
Properties