Basic information
- CAS
80866-89-3- Standard SMILES
CCC1(c2ccc(O)cc2)C(=O)NC(=O)NC1=O.O- InChIKey
MBYACWAYRFZUSS-UHFFFAOYSA-N- Molecular formula
- C12H14N2O5
- Average molar mass
- 266.25 g/mol
- Monoisotopic mass
- 266.09027155
Overview
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Names & identifiers
- Preferred name
- CID 53472088
- IUPAC
- 5-ethyl-5-(4-hydroxyphenyl)-1,3-diazinane-2,4,6-trione;hydrate
- English name
- 5-ETHYL-5-(P-HYDROXY- PHENYL)BARBITURIC ACID
- Molecular formula
- C12H14N2O5
- Molecular weight
- 0
Names & synonyms
80866-89-3DTXSID60703843MBYACWAYRFZUSS-UHFFFAOYSA-N5-ethyl-5-(4-hydroxyphenyl)-1,3-diazinane-2,4,6-trione;hydrate5-Ethyl-5-(4-hydroxyphenyl)-1,3-diazinane-2,4,6-trione--water (1/1)5-Ethyl-5-(4-hydroxyphenyl)pyrimidine-2,4,6(1H,3H,5H)-trione--water (1/1)5-Ethyl-2-(p-hydroxyphenyl)barbituric Acid5-ethyl-5-(4-hydroxyphenyl)barbituric acid monoh
Database identifiers
- CAS
80866-89-3- PubChem CID
- 53472088
- DTXSID
DTXSID60703843
Properties
Computed structural properties
- Topological polar surface area
- 96.5 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 366
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H315-H335
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H319-H315-H335
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Suppliers1 total
青岛腾龙微波科技有限公司0532-83818797 17669478191 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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