Home Carboxys methyl 1-isopropyl-1H-pyrazole-3-carboxylate

methyl 1-isopropyl-1H-pyrazole-3-carboxylate

CAS No.:
1006348-65-7
Catalog Number:
AG00JFEB
Molecular Formula:
C8H12N2O2
Molecular Weight:
168.1931
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Product Description
Catalog Number:
AG00JFEB
Chemical Name:
methyl 1-isopropyl-1H-pyrazole-3-carboxylate
CAS Number:
1006348-65-7
Molecular Formula:
C8H12N2O2
Molecular Weight:
168.1931
MDL Number:
MFCD08559018
IUPAC Name:
methyl 1-propan-2-ylpyrazole-3-carboxylate
InChI:
InChI=1S/C8H12N2O2/c1-6(2)10-5-4-7(9-10)8(11)12-3/h4-6H,1-3H3
InChI Key:
PORMWGSZOHFFHJ-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccn(n1)C(C)C
Properties
Complexity:
170  
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:
1.1  
Properties