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915922-93-9 molecular structure
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5-(oxan-2-yl)thiophene-2-carbaldehyde

ChemBase ID: 307285
Molecular Formular: C10H12O2S
Molecular Mass: 196.26608
Monoisotopic Mass: 196.05580062
SMILES and InChIs

SMILES:
s1c(ccc1C=O)C1OCCCC1
Canonical SMILES:
O=Cc1ccc(s1)C1CCCCO1
InChI:
InChI=1S/C10H12O2S/c11-7-8-4-5-10(13-8)9-3-1-2-6-12-9/h4-5,7,9H,1-3,6H2
InChIKey:
APFLKYMBWVBWSD-UHFFFAOYSA-N

Cite this record

CBID:307285 http://www.chembase.cn/molecule-307285.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
5-(oxan-2-yl)thiophene-2-carbaldehyde
IUPAC Traditional name
5-(oxan-2-yl)thiophene-2-carbaldehyde
Synonyms
5-(tetrahydro-2H-pyran-2-yl)thiophene-2-carbaldehyde
CAS Number
915922-93-9
MDL Number
MFCD08059923

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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Data Source Data ID Price
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.516979  LogD (pH = 7.4) 2.516979 
Log P 2.516979  Molar Refractivity 52.6953 cm3
Polarizability 20.079561 Å3 Polar Surface Area 26.3 Å2

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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