Home Carboxys 5-formyl-1-methyl-1H-1,2,3-triazole-4-carboxylic acid

5-formyl-1-methyl-1H-1,2,3-triazole-4-carboxylic acid

CAS No.:
2138085-24-0
Catalog Number:
AG01EINC
Molecular Formula:
C5H5N3O3
Molecular Weight:
155.1115
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Product Description
Catalog Number:
AG01EINC
Chemical Name:
5-formyl-1-methyl-1H-1,2,3-triazole-4-carboxylic acid
CAS Number:
2138085-24-0
Molecular Formula:
C5H5N3O3
Molecular Weight:
155.1115
IUPAC Name:
5-formyl-1-methyltriazole-4-carboxylic acid
InChI:
InChI=1S/C5H5N3O3/c1-8-3(2-9)4(5(10)11)6-7-8/h2H,1H3,(H,10,11)
InChI Key:
XPNPNOFFLZDBAC-UHFFFAOYSA-N
SMILES:
O=Cc1n(C)nnc1C(=O)O
Properties
Complexity:
184  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
155.033g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
155.113g/mol
Monoisotopic Mass:
155.033g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
85.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.7  
Properties