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54826-91-4 molecular structure
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dihydroxycycloprop-2-en-1-one

ChemBase ID: 126892
Molecular Formular: C3H2O3
Molecular Mass: 86.04618
Monoisotopic Mass: 86.00039392
SMILES and InChIs

SMILES:
O=C1C(=C1O)O
Canonical SMILES:
OC1=C(C1=O)O
InChI:
InChI=1S/C3H2O3/c4-1-2(5)3(1)6/h4-5H
InChIKey:
SPXGBDTUWODGLI-UHFFFAOYSA-N

Cite this record

CBID:126892 http://www.chembase.cn/molecule-126892.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
dihydroxycycloprop-2-en-1-one
IUPAC Traditional name
deltic acid
Synonyms
Deltic acid
CAS Number
54826-91-4
PubChem SID
162221218
PubChem CID
11679790
Chemspider ID
9854518
Wikipedia Title
Deltic_acid

DATA SOURCES

DATA SOURCES

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Data Source Data ID Price

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 6.3873057  H Acceptors
H Donor LogD (pH = 5.5) -0.57817674 
LogD (pH = 7.4) -1.5768871  Log P -0.5252585 
Molar Refractivity 19.4492 cm3 Polarizability 6.7674894 Å3
Polar Surface Area 57.53 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

Wikipedia Wikipedia

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

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