Home Other Building Blocks 3-methyl-1-(1H-pyrazol-1-yl)butan-2-one

3-methyl-1-(1H-pyrazol-1-yl)butan-2-one

CAS No.:
64921-99-9
Catalog Number:
AG01B98H
Molecular Formula:
C8H12N2O
Molecular Weight:
152.1937
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Product Description
Catalog Number:
AG01B98H
Chemical Name:
3-methyl-1-(1H-pyrazol-1-yl)butan-2-one
CAS Number:
64921-99-9
Molecular Formula:
C8H12N2O
Molecular Weight:
152.1937
MDL Number:
MFCD21869339
IUPAC Name:
3-methyl-1-pyrazol-1-ylbutan-2-one
InChI:
InChI=1S/C8H12N2O/c1-7(2)8(11)6-10-5-3-4-9-10/h3-5,7H,6H2,1-2H3
InChI Key:
DRVFJQHOFFMVEU-UHFFFAOYSA-N
SMILES:
O=C(C(C)C)Cn1cccn1
Properties
Complexity:
145  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
152.095g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
152.197g/mol
Monoisotopic Mass:
152.095g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
34.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1  
Properties