Home Other Building Blocks 2-(1-methyl-1H-pyrazol-5-yl)cyclohexan-1-one

2-(1-methyl-1H-pyrazol-5-yl)cyclohexan-1-one

CAS No.:
1339022-90-0
Catalog Number:
AG01DYNR
Molecular Formula:
C10H14N2O
Molecular Weight:
178.2310
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Product Description
Catalog Number:
AG01DYNR
Chemical Name:
2-(1-methyl-1H-pyrazol-5-yl)cyclohexan-1-one
CAS Number:
1339022-90-0
Molecular Formula:
C10H14N2O
Molecular Weight:
178.2310
MDL Number:
MFCD19620943
IUPAC Name:
2-(2-methylpyrazol-3-yl)cyclohexan-1-one
InChI:
InChI=1S/C10H14N2O/c1-12-9(6-7-11-12)8-4-2-3-5-10(8)13/h6-8H,2-5H2,1H3
InChI Key:
XVBZZYMFVCZEDJ-UHFFFAOYSA-N
SMILES:
O=C1CCCCC1c1ccnn1C
Properties
Complexity:
205  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.111g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
178.235g/mol
Monoisotopic Mass:
178.111g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
34.9A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1  
Properties