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1176721-69-9 | "2-[(4-ethoxyphenyl)amino]-1,3-thiazole-4-carboxylic acid"
CAS No: 1176721-69-9 Catalog No: AG01FMYV MDL No:MFCD11908651
Product Description
Catalog Number:
AG01FMYV
Chemical Name:
"2-[(4-ethoxyphenyl)amino]-1,3-thiazole-4-carboxylic acid"
CAS Number:
1176721-69-9
Molecular Formula:
C12H12N2O3S
Molecular Weight:
264.3003
MDL Number:
MFCD11908651
IUPAC Name:
2-(4-ethoxyanilino)-1,3-thiazole-4-carboxylic acid
InChI:
InChI=1S/C12H12N2O3S/c1-2-17-9-5-3-8(4-6-9)13-12-14-10(7-18-12)11(15)16/h3-7H,2H2,1H3,(H,13,14)(H,15,16)
InChI Key:
AADDBJKWPWAKJD-UHFFFAOYSA-N
SMILES:
CCOc1ccc(cc1)Nc1scc(n1)C(=O)O
Properties
Complexity:
283
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
264.057g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
264.299g/mol
Monoisotopic Mass:
264.057g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
99.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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