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56105-19-2 molecular structure
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2-cyclopropylacetaldehyde

ChemBase ID: 804948
Molecular Formular: C5H8O
Molecular Mass: 84.11642
Monoisotopic Mass: 84.05751488
SMILES and InChIs

SMILES:
C(C=O)C1CC1
Canonical SMILES:
O=CCC1CC1
InChI:
InChI=1S/C5H8O/c6-4-3-5-1-2-5/h4-5H,1-3H2
InChIKey:
TUHIBIVYQLRGME-UHFFFAOYSA-N

Cite this record

CBID:804948 http://www.chembase.cn/molecule-804948.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-cyclopropylacetaldehyde
IUPAC Traditional name
2-cyclopropylacetaldehyde
Synonyms
2-CYCLOPROPYLACETALDEHYDE
CAS Number
56105-19-2

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O22186 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O22186 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 18.174097  H Acceptors
H Donor LogD (pH = 5.5) 0.58643574 
LogD (pH = 7.4) 0.58643574  Log P 0.58643574 
Molar Refractivity 23.6926 cm3 Polarizability 9.282628 Å3
Polar Surface Area 17.07 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
98% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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