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87392-07-2 molecular structure
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(2S)-oxolane-2-carboxylic acid

ChemBase ID: 797029
Molecular Formular: C5H8O3
Molecular Mass: 116.11522
Monoisotopic Mass: 116.04734412
SMILES and InChIs

SMILES:
O1[C@@H](CCC1)C(=O)O
Canonical SMILES:
OC(=O)[C@@H]1CCCO1
InChI:
InChI=1S/C5H8O3/c6-5(7)4-2-1-3-8-4/h4H,1-3H2,(H,6,7)/t4-/m0/s1
InChIKey:
UJJLJRQIPMGXEZ-BYPYZUCNSA-N

Cite this record

CBID:797029 http://www.chembase.cn/molecule-797029.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(2S)-oxolane-2-carboxylic acid
IUPAC Traditional name
(2S)-oxolane-2-carboxylic acid
Synonyms
(S)-Tetrahydrofuran-2-carboxylic acid
CAS Number
87392-07-2

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O5424 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O5424 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 3.8262095  H Acceptors
H Donor LogD (pH = 5.5) -1.4565991 
LogD (pH = 7.4) -3.029863  Log P 0.2202865 
Molar Refractivity 26.3834 cm3 Polarizability 10.524128 Å3
Polar Surface Area 46.53 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

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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