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Home >> Chemical Listing >> Page 2891 >> 6-[4-(Ethylsulfanyl)phenyl]nicotinic acid

6-[4-(Ethylsulfanyl)phenyl]nicotinic acid
[CAS# 887976-40-1]

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Identification
Name 6-[4-(Ethylsulfanyl)phenyl]nicotinic acid
Synonyms 3-PYRIDINECARBOXYLICACID, 6-[4-(ETHYLTHIO)PHENYL]-
Molecular Structure CAS#: 887976-40-1, 6-[4-(Ethylsulfanyl)phenyl]nicotinic acid
Molecular Formula C14H13NO2S
Molecular Weight 259.32
CAS Registry Number 887976-40-1
SMILES CCSc1ccc(cc1)c2ccc(cn2)C(=O)O
InChI 1S/C14H13NO2S/c1-2-18-12-6-3-10(4-7-12)13-8-5-11(9-15-13)14(16)17/h3-9H,2H2,1H3,(H,16,17)
InChIKey QJOYIZRRRCRKCM-UHFFFAOYSA-N
Properties
Density 1.296g/cm3 (Cal.)
Boiling point 451.057°C at 760 mmHg (Cal.)
Flash point 226.591°C (Cal.)
Refractive index 1.648 (Cal.)
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