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1245645-84-4 | 1H-1,2,4-Triazole-3-acetic acid, 1-methyl-
CAS No: 1245645-84-4 Catalog No: AG000MAK MDL No:MFCD18072682
Product Description
Catalog Number:
AG000MAK
Chemical Name:
1H-1,2,4-Triazole-3-acetic acid, 1-methyl-
CAS Number:
1245645-84-4
Molecular Formula:
C5H7N3O2
Molecular Weight:
141.1280
MDL Number:
MFCD18072682
IUPAC Name:
2-(1-methyl-1,2,4-triazol-3-yl)acetic acid
InChI:
InChI=1S/C5H7N3O2/c1-8-3-6-4(7-8)2-5(9)10/h3H,2H2,1H3,(H,9,10)
InChI Key:
AAAKYNGQBVXISV-UHFFFAOYSA-N
SMILES:
OC(=O)Cc1ncn(n1)C
Properties
Complexity:
139
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
141.054g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
141.13g/mol
Monoisotopic Mass:
141.054g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
68A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.5
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