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ELLANOVALABS B2-0271

CAS No.:
1367934-18-6
Catalog Number:
AG01DYP2
Molecular Formula:
C9H12N2O
Molecular Weight:
164.2044
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Product Description
Catalog Number:
AG01DYP2
Chemical Name:
ELLANOVALABS B2-0271
CAS Number:
1367934-18-6
Molecular Formula:
C9H12N2O
Molecular Weight:
164.2044
MDL Number:
MFCD22032621
IUPAC Name:
1-(5-cyclopropyl-2-methylpyrazol-3-yl)ethanone
InChI:
InChI=1S/C9H12N2O/c1-6(12)9-5-8(7-3-4-7)10-11(9)2/h5,7H,3-4H2,1-2H3
InChI Key:
HUTVVRYDYNKRLX-UHFFFAOYSA-N
SMILES:
CC(=O)c1cc(nn1C)C1CC1
Properties
Complexity:
201  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
164.095g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
164.208g/mol
Monoisotopic Mass:
164.095g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
34.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8  
Properties