Home Other Building Blocks 3-(furan-2-yl)-1-methyl-4,5-dihydro-1H-pyrazol-5-one

3-(furan-2-yl)-1-methyl-4,5-dihydro-1H-pyrazol-5-one

CAS No.:
37432-58-9
Catalog Number:
AG01BVGC
Molecular Formula:
C8H8N2O2
Molecular Weight:
164.1613
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Product Description
Catalog Number:
AG01BVGC
Chemical Name:
3-(furan-2-yl)-1-methyl-4,5-dihydro-1H-pyrazol-5-one
CAS Number:
37432-58-9
Molecular Formula:
C8H8N2O2
Molecular Weight:
164.1613
MDL Number:
MFCD20229925
IUPAC Name:
5-(furan-2-yl)-2-methyl-4H-pyrazol-3-one
InChI:
InChI=1S/C8H8N2O2/c1-10-8(11)5-6(9-10)7-3-2-4-12-7/h2-4H,5H2,1H3
InChI Key:
XIJFXPWOHZJPTF-UHFFFAOYSA-N
SMILES:
O=C1CC(=NN1C)c1ccco1
Properties
Complexity:
237  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
164.059g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
164.164g/mol
Monoisotopic Mass:
164.059g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8  
Properties