CAS
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4-(2,4,6-Trioxo-tetrahydro-pyrimidin-1-yl)-benzoic acid
Catalog Number
ACMA00000990
Category
Amines
Molecular Weight
248.19
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Specification
Hazard Statements
H304-H314-H335-H373-H410
RIDADR
UN 2735PSN1 8 / PGII
Symbol
GHS05
What is the molecular formula of 4-(2,4,6-Trioxo-tetrahydro-pyrimidin-1-yl)-benzoic acid?
The molecular formula is C11H8N2O5.
What is the PubChem CID of 4-(2,4,6-Trioxo-tetrahydro-pyrimidin-1-yl)-benzoic acid?
The PubChem CID is 3855142.
What is the molecular weight of 4-(2,4,6-Trioxo-tetrahydro-pyrimidin-1-yl)-benzoic acid?
The molecular weight is 248.19 g/mol.
What is the IUPAC name of 4-(2,4,6-Trioxo-tetrahydro-pyrimidin-1-yl)-benzoic acid?
The IUPAC name is 4-(2,4,6-trioxo-1,3-diazinan-1-yl)benzoic acid.
What is the InChI of 4-(2,4,6-Trioxo-tetrahydro-pyrimidin-1-yl)-benzoic acid?
The InChI is InChI=1S/C11H8N2O5/c14-8-5-9(15)13(11(18)12-8)7-3-1-6(2-4-7)10(16)17/h1-4H,5H2,(H,16,17)(H,12,14,18).
What is the InChIKey of 4-(2,4,6-Trioxo-tetrahydro-pyrimidin-1-yl)-benzoic acid?
The InChIKey is SKYMCNSGBAFSNC-UHFFFAOYSA-N.
What is the canonical SMILES of 4-(2,4,6-Trioxo-tetrahydro-pyrimidin-1-yl)-benzoic acid?
The canonical SMILES is C1C(=O)NC(=O)N(C1=O)C2=CC=C(C=C2)C(=O)O.
What is the XLogP3-AA value of 4-(2,4,6-Trioxo-tetrahydro-pyrimidin-1-yl)-benzoic acid?
The XLogP3-AA value is 0.1.
How many hydrogen bond donor atoms are present in 4-(2,4,6-Trioxo-tetrahydro-pyrimidin-1-yl)-benzoic acid?
There are 2 hydrogen bond donor atoms.
How many hydrogen bond acceptor atoms are present in 4-(2,4,6-Trioxo-tetrahydro-pyrimidin-1-yl)-benzoic acid?
There are 5 hydrogen bond acceptor atoms.
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