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1247118-11-1 | 3-(5-methyl-1,3-thiazol-2-yl)benzoic acid
CAS No: 1247118-11-1 Catalog No: AG01AKJK MDL No:MFCD16834295
Product Description
Catalog Number:
AG01AKJK
Chemical Name:
3-(5-methyl-1,3-thiazol-2-yl)benzoic acid
CAS Number:
1247118-11-1
Molecular Formula:
C11H9NO2S
Molecular Weight:
219.2597
MDL Number:
MFCD16834295
IUPAC Name:
3-(5-methyl-1,3-thiazol-2-yl)benzoic acid
InChI:
InChI=1S/C11H9NO2S/c1-7-6-12-10(15-7)8-3-2-4-9(5-8)11(13)14/h2-6H,1H3,(H,13,14)
InChI Key:
ZVMVNRWWXZEPMS-UHFFFAOYSA-N
SMILES:
Cc1cnc(s1)c1cccc(c1)C(=O)O
Properties
Complexity:
247
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:
1
Isotope Atom Count:
0
Molecular Weight:
219.258g/mol
Monoisotopic Mass:
219.035g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
78.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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