Home Other Building Blocks methyl 2-(1,3-dimethyl-1H-pyrazol-4-yl)acetate

methyl 2-(1,3-dimethyl-1H-pyrazol-4-yl)acetate

CAS No.:
1909305-89-0
Catalog Number:
AG01AUSZ
Molecular Formula:
C8H12N2O2
Molecular Weight:
168.1931
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Product Description
Catalog Number:
AG01AUSZ
Chemical Name:
methyl 2-(1,3-dimethyl-1H-pyrazol-4-yl)acetate
CAS Number:
1909305-89-0
Molecular Formula:
C8H12N2O2
Molecular Weight:
168.1931
MDL Number:
MFCD29047226
IUPAC Name:
methyl 2-(1,3-dimethylpyrazol-4-yl)acetate
InChI:
InChI=1S/C8H12N2O2/c1-6-7(4-8(11)12-3)5-10(2)9-6/h5H,4H2,1-3H3
InChI Key:
FEJIHYDHXHRBRC-UHFFFAOYSA-N
SMILES:
COC(=O)Cc1cn(nc1C)C
Properties
Complexity:
172  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
168.09g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
168.196g/mol
Monoisotopic Mass:
168.09g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
44.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4  
Properties