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1298034-20-4 | 1H-Pyrazole-3-carboxylic acid, 5-amino-, ethyl ester, hydrochloride (1:1)
CAS No: 1298034-20-4 Catalog No: AG000TOT MDL No:
Product Description
Catalog Number:
AG000TOT
Chemical Name:
1H-Pyrazole-3-carboxylic acid, 5-amino-, ethyl ester, hydrochloride (1:1)
CAS Number:
1298034-20-4
Molecular Formula:
C6H10ClN3O2
Molecular Weight:
191.6155
IUPAC Name:
ethyl 3-amino-1H-pyrazole-5-carboxylate;hydrochloride
InChI:
InChI=1S/C6H9N3O2.ClH/c1-2-11-6(10)4-3-5(7)9-8-4;/h3H,2H2,1H3,(H3,7,8,9);1H
InChI Key:
XHBBRDOSNNEZNM-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cc([nH]n1)N.Cl
Properties
Complexity:
151
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
191.046g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
191.615g/mol
Monoisotopic Mass:
191.046g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
81A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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