Home Carboxys 5-Methyl-2h-1,2,3-triazole-4-carboxylic acid hcl

5-Methyl-2h-1,2,3-triazole-4-carboxylic acid hcl

CAS No.:
1445951-85-8
Catalog Number:
AG00HX5U
Molecular Formula:
C4H6ClN3O2
Molecular Weight:
163.5623
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Product Description
Catalog Number:
AG00HX5U
Chemical Name:
5-Methyl-2h-1,2,3-triazole-4-carboxylic acid hcl
CAS Number:
1445951-85-8
Molecular Formula:
C4H6ClN3O2
Molecular Weight:
163.5623
MDL Number:
MFCD27997490
IUPAC Name:
5-methyl-2H-triazole-4-carboxylic acid;hydrochloride
InChI:
InChI=1S/C4H5N3O2.ClH/c1-2-3(4(8)9)6-7-5-2;/h1H3,(H,8,9)(H,5,6,7);1H
InChI Key:
NTTLOCJSSSEPGL-UHFFFAOYSA-N
SMILES:
Cc1n[nH]nc1C(=O)O.Cl
Properties
Complexity:
127  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
163.015g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
163.561g/mol
Monoisotopic Mass:
163.015g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
78.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties