Acetic acid,2-[[3-(3,4,5-trimethoxyphenyl)-1H-1,2,4-triazol-5-yl]thio]-

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Catalog Number
ACM77803555
Product Name
Acetic acid,2-[[3-(3,4,5-trimethoxyphenyl)-1H-1,2,4-triazol-5-yl]thio]-
CAS
77803-55-5
Category
Heterocyclic Organic Compound
Synonyms
BRN 5352207, CID3060187, LS-12996, 5-(3,4,5-Trimetossifenil)-3-carbossimetiltio-4H-1,2,4-triazolo [Italian], Acetic acid, ((5-(3,4,5-trimethoxyphenyl)-1H-1,2,4-triazol-3-yl)thio)-, 5-(3,4,5-Trimetossifenil)-3-carbossimetiltio-4H-1,2,4-triazolo, 77803-55-5
IUPAC Name
2-[[5-(3,4,5-trimethoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetic acid
Molecular Weight
325.3403
Molecular Formula
C13H15N3O5S
Canonical SMILES
COC1=CC(=CC(=C1OC)OC)C2=NC(=NN2)SCC(=O)O
InChI Key
IJKVCIZBPFDIKY-UHFFFAOYSA-N
Boiling Point
583.5ºC at 760mmHg
Flash Point
306.7ºC
Density
1.46g/cm³
Exact Mass
325.07300
H-Bond Acceptor
7
H-Bond Donor
2
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