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119-18-6 molecular structure
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4-oxo-3-phenylimidazolidine-1-carboxylic acid

ChemBase ID: 798495
Molecular Formular: C10H10N2O3
Molecular Mass: 206.198
Monoisotopic Mass: 206.06914219
SMILES and InChIs

SMILES:
N1(CN(CC1=O)C(=O)O)c1ccccc1
Canonical SMILES:
OC(=O)N1CN(C(=O)C1)c1ccccc1
InChI:
InChI=1S/C10H10N2O3/c13-9-6-11(10(14)15)7-12(9)8-4-2-1-3-5-8/h1-5H,6-7H2,(H,14,15)
InChIKey:
QCOZMZCOARXLSS-UHFFFAOYSA-N

Cite this record

CBID:798495 http://www.chembase.cn/molecule-798495.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-oxo-3-phenylimidazolidine-1-carboxylic acid
IUPAC Traditional name
4-oxo-3-phenylimidazolidine-1-carboxylic acid
Synonyms
1-phenylimidazol-5(4h)-one-3-carboxylic acid
CAS Number
119-18-6

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O11386 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O11386 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
LogD (pH = 7.4) -2.712974  Log P 0.60538816 
Molar Refractivity 51.4321 cm3 Polarizability 19.875475 Å3
Polar Surface Area 60.85 Å2 Rotatable Bonds
Lipinski's Rule of Five true  Acid pKa 3.6672761 
H Acceptors H Donor
LogD (pH = 5.5) -1.2250288 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
97% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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