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716361-91-0 | 1-Methyl-1H-1,2,3-triazole-5-carboxylic acid
CAS No: 716361-91-0 Catalog No: AG005G94 MDL No:MFCD10696347
Product Description
Catalog Number:
AG005G94
Chemical Name:
1-Methyl-1H-1,2,3-triazole-5-carboxylic acid
CAS Number:
716361-91-0
Molecular Formula:
C4H5N3O2
Molecular Weight:
127.1014
MDL Number:
MFCD10696347
IUPAC Name:
3-methyltriazole-4-carboxylic acid
InChI:
InChI=1S/C4H5N3O2/c1-7-3(4(8)9)2-5-6-7/h2H,1H3,(H,8,9)
InChI Key:
LQNKEDJEXCZEBP-UHFFFAOYSA-N
SMILES:
OC(=O)c1cnnn1C
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:
-0.5
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