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5-Propyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylic acid
[CAS# 667436-13-7]

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Identification
Name 5-Propyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylic acid
Synonyms 5-propyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylic acid; 5-propyl-4,5,6,7-tetrahydrobenzo[b]thiophene-2-carboxylic acid; MFCD03900514
Molecular Structure CAS#: 667436-13-7, 5-Propyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylic acid
Molecular Formula C12H16O2S
Molecular Weight 224.32
CAS Registry Number 667436-13-7
SMILES O=C(O)c1sc2c(c1)CC(CC2)CCC
InChI 1S/C12H16O2S/c1-2-3-8-4-5-10-9(6-8)7-11(15-10)12(13)14/h7-8H,2-6H2,1H3,(H,13,14)
InChIKey MEDWTNRKBDWLPG-UHFFFAOYSA-N
Properties
Density 1.166g/cm3 (Cal.)
Boiling point 386.162°C at 760 mmHg (Cal.)
Flash point 187.344°C (Cal.)
Refractive index 1.561 (Cal.)
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