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16441-29-5 | 4-Thiazoleacetic acid, 2-(3-methylphenyl)-
CAS No: 16441-29-5 Catalog No: AG001UVN MDL No:MFCD06655842
Product Description
Catalog Number:
AG001UVN
Chemical Name:
4-Thiazoleacetic acid, 2-(3-methylphenyl)-
CAS Number:
16441-29-5
Molecular Formula:
C12H11NO2S
Molecular Weight:
233.2862
MDL Number:
MFCD06655842
IUPAC Name:
2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetic acid
InChI:
InChI=1S/C12H11NO2S/c1-8-3-2-4-9(5-8)12-13-10(7-16-12)6-11(14)15/h2-5,7H,6H2,1H3,(H,14,15)
InChI Key:
DLMICSWBTHJZTQ-UHFFFAOYSA-N
SMILES:
OC(=O)Cc1csc(n1)c1cccc(c1)C
Properties
Complexity:
259
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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