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832113-72-1 | 3-(5-Thiophene-2-yl-thiazol-2-ylcarbamoyl)-acrylic acid
CAS No: 832113-72-1 Catalog No: AG01EXKW MDL No:MFCD05664169
Product Description
Catalog Number:
AG01EXKW
Chemical Name:
3-(5-Thiophene-2-yl-thiazol-2-ylcarbamoyl)-acrylic acid
CAS Number:
832113-72-1
Molecular Formula:
C11H8N2O3S2
Molecular Weight:
280.3228
MDL Number:
MFCD05664169
IUPAC Name:
(E)-4-oxo-4-[(5-thiophen-2-yl-1,3-thiazol-2-yl)amino]but-2-enoic acid
InChI:
InChI=1S/C11H8N2O3S2/c14-9(3-4-10(15)16)13-11-12-6-8(18-11)7-2-1-5-17-7/h1-6H,(H,15,16)(H,12,13,14)/b4-3+
InChI Key:
QUPRFQXCTVCHQL-ONEGZZNKSA-N
SMILES:
O=C(Nc1ncc(s1)c1cccs1)/C=C/C(=O)O
Properties
Complexity:
362
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
279.998g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
280.316g/mol
Monoisotopic Mass:
279.998g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
136A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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