Home Carboxys Methyl 1,3,4-trimethyl-1H-pyrazole-5-carboxylate

Methyl 1,3,4-trimethyl-1H-pyrazole-5-carboxylate

CAS No.:
773136-70-2
Catalog Number:
AG00547P
Molecular Formula:
C8H12N2O2
Molecular Weight:
168.1931
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Product Description
Catalog Number:
AG00547P
Chemical Name:
Methyl 1,3,4-trimethyl-1H-pyrazole-5-carboxylate
CAS Number:
773136-70-2
Molecular Formula:
C8H12N2O2
Molecular Weight:
168.1931
MDL Number:
MFCD16660980
IUPAC Name:
methyl 2,4,5-trimethylpyrazole-3-carboxylate
InChI:
InChI=1S/C8H12N2O2/c1-5-6(2)9-10(3)7(5)8(11)12-4/h1-4H3
InChI Key:
OCUDOHHJNZEDML-UHFFFAOYSA-N
SMILES:
COC(=O)c1n(C)nc(c1C)C
Properties
Complexity:
184  
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:
2  
Topological Polar Surface Area:
44.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  
Properties