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168618-63-1 | Benzoic acid, 3-(2-thiazolyl)-, methyl ester
CAS No: 168618-63-1 Catalog No: AG001Y6X MDL No:MFCD08275676
Product Description
Catalog Number:
AG001Y6X
Chemical Name:
Benzoic acid, 3-(2-thiazolyl)-, methyl ester
CAS Number:
168618-63-1
Molecular Formula:
C11H9NO2S
Molecular Weight:
219.2597
MDL Number:
MFCD08275676
IUPAC Name:
methyl 3-(1,3-thiazol-2-yl)benzoate
InChI:
InChI=1S/C11H9NO2S/c1-14-11(13)9-4-2-3-8(7-9)10-12-5-6-15-10/h2-7H,1H3
InChI Key:
YXIVASOYIRWGFB-UHFFFAOYSA-N
SMILES:
COC(=O)c1cccc(c1)c1nccs1
Properties
Complexity:
235
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.035g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
219.258g/mol
Monoisotopic Mass:
219.035g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
67.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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