CAS
93709-67-2 Purity
96%
93709-67-2 Purity
96%
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1,3,5-Triazine-2-carboxylicacid,1,4,5,6-tetrahydro-4,6-dioxo-
CAS
937-13-3
Catalog Number
ACM937133
Category
Other Products
Molecular Weight
95.17
Molecular Formula
C4H3N3O4
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Specification
Synonyms
OXC; Potassium azaorotate; 5-Aza-orotsaeure; 4,6-dioxo-1H-1,3,5-triazine-2-carboxylic acid; Sodium 5-azaorotate; Oxonate; Oteracil; Oxonic Acid; 4,6-dioxo-1,4,5,6-tetrahydro-1,3,5-triazine-2-carboxylic acid;
IUPAC Name
4,6-dioxo-1H-1,3,5-triazine-2-carboxylic acid
Canonical SMILES
C1(=NC(=O)NC(=O)N1)C(=O)O
InChI Key
RYYCJUAHISIHTL-UHFFFAOYSA-N
Boiling Point
771.4ºC at 760mmHg
Melting Point
261-261ºC
Flash Point
420.4ºC
Density
2.19g/cm³
Exact Mass
157.01200
H-Bond Acceptor
4
H-Bond Donor
3
What is the molecular formula of 1,3,5-Triazine-2-carboxylic acid, 1,4,5,6-tetrahydro-4,6-dioxo?
The molecular formula is C4H3N3O4.
What is the molecular weight of 1,3,5-Triazine-2-carboxylic acid, 1,4,5,6-tetrahydro-4,6-dioxo?
The molecular weight is 157.08 g/mol.
What is 5-azaorotic acid?
5-azaorotic acid is a member of 1,3,5-triazines and a monocarboxylic acid.
What is the IUPAC name of 1,3,5-Triazine-2-carboxylic acid, 1,4,5,6-tetrahydro-4,6-dioxo?
The IUPAC name is 4,6-dioxo-1H-1,3,5-triazine-2-carboxylic acid.
What is the InChI of 1,3,5-Triazine-2-carboxylic acid, 1,4,5,6-tetrahydro-4,6-dioxo?
The InChI is InChI=1S/C4H3N3O4/c8-2(9)1-5-3(10)7-4(11)6-1/h(H,8,9)(H2,5,6,7,10,11).
What is the InChIKey of 1,3,5-Triazine-2-carboxylic acid, 1,4,5,6-tetrahydro-4,6-dioxo?
The InChIKey is RYYCJUAHISIHTL-UHFFFAOYSA-N.
What is the canonical SMILES of 1,3,5-Triazine-2-carboxylic acid, 1,4,5,6-tetrahydro-4,6-dioxo?
The canonical SMILES is C1(=NC(=O)NC(=O)N1)C(=O)O.
What is the CAS number of 1,3,5-Triazine-2-carboxylic acid, 1,4,5,6-tetrahydro-4,6-dioxo?
The CAS number is 937-13-3.
What is the XLogP3-AA value of 1,3,5-Triazine-2-carboxylic acid, 1,4,5,6-tetrahydro-4,6-dioxo?
The XLogP3-AA value is -1.
How many hydrogen bond donor and acceptor count does 1,3,5-Triazine-2-carboxylic acid, 1,4,5,6-tetrahydro-4,6-dioxo have?
It has 3 hydrogen bond donors and 4 hydrogen bond acceptors.
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