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143832-52-4 | 1H-1,2,4-Triazole-3-acetic acid, 5-amino-
CAS No: 143832-52-4 Catalog No: AG001IG8 MDL No:MFCD01100577
Product Description
Catalog Number:
AG001IG8
Chemical Name:
1H-1,2,4-Triazole-3-acetic acid, 5-amino-
CAS Number:
143832-52-4
Molecular Formula:
C4H6N4O2
Molecular Weight:
142.1160
MDL Number:
MFCD01100577
IUPAC Name:
2-(3-amino-1H-1,2,4-triazol-5-yl)acetic acid
InChI:
InChI=1S/C4H6N4O2/c5-4-6-2(7-8-4)1-3(9)10/h1H2,(H,9,10)(H3,5,6,7,8)
InChI Key:
ONMNOXQLJYNSKN-UHFFFAOYSA-N
SMILES:
OC(=O)Cc1n[nH]c(n1)N
Properties
Complexity:
139
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
142.049g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
142.118g/mol
Monoisotopic Mass:
142.049g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
105A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.9
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