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116493-07-3 | 2-Thiophenecarboxylic acid, 4-cyano-3-(4-methoxyphenyl)-5-(methylthio)-
CAS No: 116493-07-3 Catalog No: AG000CMM MDL No:MFCD00277044
Product Description
Catalog Number:
AG000CMM
Chemical Name:
2-Thiophenecarboxylic acid, 4-cyano-3-(4-methoxyphenyl)-5-(methylthio)-
CAS Number:
116493-07-3
Molecular Formula:
C14H11NO3S2
Molecular Weight:
305.3720
MDL Number:
MFCD00277044
IUPAC Name:
4-cyano-3-(4-methoxyphenyl)-5-methylsulfanylthiophene-2-carboxylic acid
InChI:
InChI=1S/C14H11NO3S2/c1-18-9-5-3-8(4-6-9)11-10(7-15)14(19-2)20-12(11)13(16)17/h3-6H,1-2H3,(H,16,17)
InChI Key:
CGHMBDXBFGRSNF-UHFFFAOYSA-N
SMILES:
N#Cc1c(SC)sc(c1c1ccc(cc1)OC)C(=O)O
Properties
Complexity:
401
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
305.018g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
305.366g/mol
Monoisotopic Mass:
305.018g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
124A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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