Home Carboxys 1H-Pyrazole-4-carboxylic acid, 3,5-dimethyl-, ethyl ester, hydrochloride (1:1)

1H-Pyrazole-4-carboxylic acid, 3,5-dimethyl-, ethyl ester, hydrochloride (1:1)

CAS No.:
1305320-57-3
Catalog Number:
AG000UL9
Molecular Formula:
C8H13ClN2O2
Molecular Weight:
204.6540
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Product Description
Catalog Number:
AG000UL9
Chemical Name:
1H-Pyrazole-4-carboxylic acid, 3,5-dimethyl-, ethyl ester, hydrochloride (1:1)
CAS Number:
1305320-57-3
Molecular Formula:
C8H13ClN2O2
Molecular Weight:
204.6540
MDL Number:
MFCD16495875
IUPAC Name:
ethyl 3,5-dimethyl-1H-pyrazole-4-carboxylate;hydrochloride
InChI:
InChI=1S/C8H12N2O2.ClH/c1-4-12-8(11)7-5(2)9-10-6(7)3;/h4H2,1-3H3,(H,9,10);1H
InChI Key:
QZGZCHFHAGNIRG-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1c(C)n[nH]c1C.Cl
Properties
Complexity:
172  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.067g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
204.654g/mol
Monoisotopic Mass:
204.067g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
55A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties