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887976-40-1
6-(4-ETHYLTHIOPHENYL)NICOTINIC ACID
Name
6-(4-ETHYLTHIOPHENYL)NICOTINIC ACID
Formula
C14 H13 N O2 S
MolWeight
259.328
1Identification
【Name】
6-(4-ETHYLTHIOPHENYL)NICOTINIC ACID
【CAS】
【MDL】
MFCD06410411
【English Synonyms】
【Formula】
C14 H13 N O2 S
【MolWeight】
259.328
【Inchi】
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】
InChIKey=QJOYIZRRRCRKCM-UHFFFAOYSA-N
【SMILES】
CCSc1ccc(cc1)c2ccc(cn2)C(=O)O
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:3
XLogP3:3.0
Bulk/Fine:FB
3Material Safety Data Sheet(MSDS)
4CML File
6-(4-ETHYLTHIOPHENYL)NICOTINIC ACID.cml
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Catalog No:AP-13-5022 nullnull
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Business Type:Others
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Catalog No:Y-21910 100G
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Anichem Inc.
Catalog No:T16341 25G
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Country/Region:United States
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