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7331-52-4 molecular structure
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(4S)-4-hydroxyoxolan-2-one

ChemBase ID: 799354
Molecular Formular: C4H6O3
Molecular Mass: 102.08864
Monoisotopic Mass: 102.03169405
SMILES and InChIs

SMILES:
O1C(=O)C[C@@H](C1)O
Canonical SMILES:
O[C@H]1CC(=O)OC1
InChI:
InChI=1S/C4H6O3/c5-3-1-4(6)7-2-3/h3,5H,1-2H2/t3-/m0/s1
InChIKey:
FUDDLSHBRSNCBV-VKHMYHEASA-N

Cite this record

CBID:799354 http://www.chembase.cn/molecule-799354.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(4S)-4-hydroxyoxolan-2-one
IUPAC Traditional name
(4S)-4-hydroxyoxolan-2-one
Synonyms
(S)-4-hydroxy-dihydrofuran-2(3H)-one
CAS Number
7331-52-4

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O13891 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O13891 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 14.181664  H Acceptors
H Donor LogD (pH = 5.5) -0.7694448 
LogD (pH = 7.4) -0.76944494  Log P -0.7694448 
Molar Refractivity 21.5156 cm3 Polarizability 8.881667 Å3
Polar Surface Area 46.53 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
96% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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