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

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

CAS No.:
815588-82-0
Catalog Number:
AG00G9I1
Molecular Formula:
C4H5N3O2
Molecular Weight:
127.1014
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
95%
1 week
United States
$446
- +
Product Description
Catalog Number:
AG00G9I1
Chemical Name:
1-Methyl-1h-1,2,4-triazole-3-carboxylic acid
CAS Number:
815588-82-0
Molecular Formula:
C4H5N3O2
Molecular Weight:
127.1014
MDL Number:
MFCD18072681
IUPAC Name:
1-methyl-1,2,4-triazole-3-carboxylic acid
InChI:
InChI=1S/C4H5N3O2/c1-7-2-5-3(6-7)4(8)9/h2H,1H3,(H,8,9)
InChI Key:
PMEKKJJZHNQEIZ-UHFFFAOYSA-N
SMILES:
Cn1cnc(n1)C(=O)O
Properties
Complexity:
127  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
127.038g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
127.103g/mol
Monoisotopic Mass:
127.038g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
68A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1  
Properties