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10045-58-6 molecular structure
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5-hydroxy-5-methylimidazolidine-2,4-dione

ChemBase ID: 170821
Molecular Formular: C4H6N2O3
Molecular Mass: 130.10204
Monoisotopic Mass: 130.03784206
SMILES and InChIs

SMILES:
N1C(=O)C(NC1=O)(O)C
Canonical SMILES:
O=C1NC(=O)C(N1)(C)O
InChI:
InChI=1S/C4H6N2O3/c1-4(9)2(7)5-3(8)6-4/h9H,1H3,(H2,5,6,7,8)
InChIKey:
CNQHZBFQVYOFGD-UHFFFAOYSA-N

Cite this record

CBID:170821 http://www.chembase.cn/molecule-170821.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
5-hydroxy-5-methylimidazolidine-2,4-dione
IUPAC Traditional name
5-hydroxy-5-methylimidazolidine-2,4-dione
Synonyms
5-Hydroxy-5-methyl-2,4-imidazolidinedione
5-Methyl-5-hydroxyhydantoin
5-Hydroxy-5-methylhydantoin
CAS Number
10045-58-6
PubChem SID
164226731
PubChem CID
3014609

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
TRC H947500 external link Add to cart
PubChem 3014609 external link
Data Source Data ID Price
TRC
H947500 external link Add to cart Please log in.
Data Source Data ID
PubChem 3014609 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 9.400948  H Acceptors
H Donor LogD (pH = 5.5) -1.2620572 
LogD (pH = 7.4) -1.2662665  Log P -1.2620033 
Molar Refractivity 27.248 cm3 Polarizability 10.641323 Å3
Polar Surface Area 78.43 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
DMSO expand Show data source
Methanol expand Show data source
Water expand Show data source
Apperance
White Solid expand Show data source
Melting Point
164-169°C (transition), Melts @ >260°C (dec.) expand Show data source
Storage Condition
-20°C Freezer expand Show data source
MSDS Link
Download expand Show data source
Certificate of Analysis
Download expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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