Home Carboxys 1-cyclopropyl-1H-1,2,3-triazole-5-carboxylic acid

1-cyclopropyl-1H-1,2,3-triazole-5-carboxylic acid

CAS No.:
1784650-04-9
Catalog Number:
AG01DYY7
Molecular Formula:
C6H7N3O2
Molecular Weight:
153.1387
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Product Description
Catalog Number:
AG01DYY7
Chemical Name:
1-cyclopropyl-1H-1,2,3-triazole-5-carboxylic acid
CAS Number:
1784650-04-9
Molecular Formula:
C6H7N3O2
Molecular Weight:
153.1387
MDL Number:
MFCD31665656
IUPAC Name:
3-cyclopropyltriazole-4-carboxylic acid
InChI:
InChI=1S/C6H7N3O2/c10-6(11)5-3-7-8-9(5)4-1-2-4/h3-4H,1-2H2,(H,10,11)
InChI Key:
UPAHYDCUFANRHS-UHFFFAOYSA-N
SMILES:
OC(=O)c1cnnn1C1CC1
Properties
Complexity:
181  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
153.054g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
153.141g/mol
Monoisotopic Mass:
153.054g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
68A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0
Properties