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850375-07-4 | Benzoic acid,3-(2-methyl-4-thiazolyl)-, methyl ester
CAS No: 850375-07-4 Catalog No: AG004ZUX MDL No:MFCD06797464
Product Description
Catalog Number:
AG004ZUX
Chemical Name:
Benzoic acid,3-(2-methyl-4-thiazolyl)-, methyl ester
CAS Number:
850375-07-4
Molecular Formula:
C12H11NO2S
Molecular Weight:
233.2862
MDL Number:
MFCD06797464
IUPAC Name:
methyl 3-(2-methyl-1,3-thiazol-4-yl)benzoate
InChI:
InChI=1S/C12H11NO2S/c1-8-13-11(7-16-8)9-4-3-5-10(6-9)12(14)15-2/h3-7H,1-2H3
InChI Key:
MLILPQRJIOVKFH-UHFFFAOYSA-N
SMILES:
COC(=O)c1cccc(c1)c1csc(n1)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:
0
Isotope Atom Count:
0
Molecular Weight:
233.285g/mol
Monoisotopic Mass:
233.051g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
67.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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