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101736-22-5 | 4-Thiazoleacetic acid, 5-methyl-2-phenyl-
CAS No: 101736-22-5 Catalog No: AG0005CF MDL No:MFCD00277218
Product Description
Catalog Number:
AG0005CF
Chemical Name:
4-Thiazoleacetic acid, 5-methyl-2-phenyl-
CAS Number:
101736-22-5
Molecular Formula:
C12H11NO2S
Molecular Weight:
233.2862
MDL Number:
MFCD00277218
IUPAC Name:
2-(5-methyl-2-phenyl-1,3-thiazol-4-yl)acetic acid
InChI:
InChI=1S/C12H11NO2S/c1-8-10(7-11(14)15)13-12(16-8)9-5-3-2-4-6-9/h2-6H,7H2,1H3,(H,14,15)
InChI Key:
SZYXURFSAUXFNT-UHFFFAOYSA-N
SMILES:
OC(=O)Cc1nc(sc1C)c1ccccc1
Properties
Complexity:
253
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.051g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
233.285g/mol
Monoisotopic Mass:
233.051g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
78.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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