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33689-29-1 molecular structure
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methyl 1-hydroxycyclopropane-1-carboxylate

ChemBase ID: 170173
Molecular Formular: C5H8O3
Molecular Mass: 116.11522
Monoisotopic Mass: 116.04734412
SMILES and InChIs

SMILES:
C1(CC1)(O)C(=O)OC
Canonical SMILES:
COC(=O)C1(O)CC1
InChI:
InChI=1S/C5H8O3/c1-8-4(6)5(7)2-3-5/h7H,2-3H2,1H3
InChIKey:
KPJWVJURYXOHOO-UHFFFAOYSA-N

Cite this record

CBID:170173 http://www.chembase.cn/molecule-170173.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
methyl 1-hydroxycyclopropane-1-carboxylate
IUPAC Traditional name
methyl 1-hydroxycyclopropane-1-carboxylate
Synonyms
Methyl 1-Hydroxycyclopropane-1-carboxylate
Methyl 1-Hydroxycyclopropanecarboxylate
1-Hydroxycyclopropanecarboxylic Acid Methyl Ester
CAS Number
33689-29-1
PubChem SID
164226083
PubChem CID
2733178

DATA SOURCES

DATA SOURCES

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Data Source Data ID
TRC H825150 external link Add to cart
PubChem 2733178 external link
Data Source Data ID Price
TRC
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Data Source Data ID
PubChem 2733178 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 12.613981  H Acceptors
H Donor LogD (pH = 5.5) -0.20098805 
LogD (pH = 7.4) -0.20099066  Log P -0.20098802 
Molar Refractivity 26.366 cm3 Polarizability 10.689573 Å3
Polar Surface Area 46.53 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
Dichloromethane expand Show data source
Methanol expand Show data source
Apperance
Colourless Oil expand Show data source
MSDS Link
Download expand Show data source
Certificate of Analysis
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DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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