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959237-71-9 molecular structure
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5-(oxolan-2-yl)thiophene-2-carboxylic acid

ChemBase ID: 307286
Molecular Formular: C9H10O3S
Molecular Mass: 198.2389
Monoisotopic Mass: 198.03506518
SMILES and InChIs

SMILES:
s1c(ccc1C1OCCC1)C(=O)O
Canonical SMILES:
OC(=O)c1ccc(s1)C1CCCO1
InChI:
InChI=1S/C9H10O3S/c10-9(11)8-4-3-7(13-8)6-2-1-5-12-6/h3-4,6H,1-2,5H2,(H,10,11)
InChIKey:
MTRSGCTYMNSNSD-UHFFFAOYSA-N

Cite this record

CBID:307286 http://www.chembase.cn/molecule-307286.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
5-(oxolan-2-yl)thiophene-2-carboxylic acid
IUPAC Traditional name
5-(oxolan-2-yl)thiophene-2-carboxylic acid
Synonyms
5-(tetrahydrofuran-2-yl)thiophene-2-carboxylic acid
CAS Number
959237-71-9
MDL Number
MFCD09864320

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) -0.13306834  LogD (pH = 7.4) -1.4011878 
Log P 2.0174909  Molar Refractivity 48.7665 cm3
Polarizability 18.744108 Å3 Polar Surface Area 46.53 Å2

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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