CAS
901586-09-2 Purity
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901586-09-2 Purity
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2-(1H-1,2,4-Triazol-1-yl)propanoic acid
CAS
901586-50-3
Catalog Number
ACM901586503
Category
Other Products
Molecular Weight
141.127980 [g/mol]
Molecular Formula
C5H7N3O2
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Specification
Synonyms
Ambnee4002068, MolPort-002-013-367, 2-(1H-1,2,4-Triazol-1-yl)propanoic acid, EC-000.1371, 901586-50-3
IUPAC Name
2-(1,2,4-triazol-1-yl)propanoic acid
Canonical SMILES
CC(C(=O)O)N1C=NC=N1
InChI Key
ZRELDOABWMTCKN-UHFFFAOYSA-N
Boiling Point
353.9ºC at 760 mmHg
Flash Point
167.8ºC
Density
1.43g/cm³
Exact Mass
141.05400
H-Bond Acceptor
4
H-Bond Donor
1
What is the molecular formula of 2-(1H-1,2,4-Triazol-1-yl)propanoic acid?
The molecular formula is C5H7N3O2.
When was the structure of 2-(1H-1,2,4-Triazol-1-yl)propanoic acid created and modified?
The structure was created on 2007-11-13 and modified on 2023-12-30.
What is the molecular weight of 2-(1H-1,2,4-Triazol-1-yl)propanoic acid?
The molecular weight is 141.13 g/mol.
What is the IUPAC name of 2-(1H-1,2,4-Triazol-1-yl)propanoic acid?
The IUPAC name is 2-(1,2,4-triazol-1-yl)propanoic acid.
What is the InChI of 2-(1H-1,2,4-Triazol-1-yl)propanoic acid?
The InChI is InChI=1S/C5H7N3O2/c1-4(5(9)10)8-3-6-2-7-8/h2-4H,1H3,(H,9,10).
What is the InChIKey of 2-(1H-1,2,4-Triazol-1-yl)propanoic acid?
The InChIKey is ZRELDOABWMTCKN-UHFFFAOYSA-N.
How many hydrogen bond donor counts are there in 2-(1H-1,2,4-Triazol-1-yl)propanoic acid?
There is 1 hydrogen bond donor count.
How many hydrogen bond acceptor counts are there in 2-(1H-1,2,4-Triazol-1-yl)propanoic acid?
There are 4 hydrogen bond acceptor counts.
What is the topological polar surface area of 2-(1H-1,2,4-Triazol-1-yl)propanoic acid?
The topological polar surface area is 68 Ų.
Is 2-(1H-1,2,4-Triazol-1-yl)propanoic acid a canonicalized compound?
Yes, it is a canonicalized compound.
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