Home Carboxys methyl 4-methyl-1H-pyrazole-3-carboxylate hydrochloride

methyl 4-methyl-1H-pyrazole-3-carboxylate hydrochloride

CAS No.:
2095410-56-1
Catalog Number:
AG01E8NG
Molecular Formula:
C6H9ClN2O2
Molecular Weight:
176.6009
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Product Description
Catalog Number:
AG01E8NG
Chemical Name:
methyl 4-methyl-1H-pyrazole-3-carboxylate hydrochloride
CAS Number:
2095410-56-1
Molecular Formula:
C6H9ClN2O2
Molecular Weight:
176.6009
MDL Number:
MFCD30730451
IUPAC Name:
methyl 4-methyl-1H-pyrazole-5-carboxylate;hydrochloride
InChI:
InChI=1S/C6H8N2O2.ClH/c1-4-3-7-8-5(4)6(9)10-2;/h3H,1-2H3,(H,7,8);1H
InChI Key:
VHEMEWSBILCYNX-UHFFFAOYSA-N
SMILES:
COC(=O)c1n[nH]cc1C.Cl
Properties
Complexity:
138  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
176.035g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
176.6g/mol
Monoisotopic Mass:
176.035g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
55A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties