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65032-66-8 | 2-(2-METHYL-1,3-THIAZOL-4-YL)BENZOIC ACID
CAS No: 65032-66-8 Catalog No: AG00EAHB MDL No:MFCD09879980
Product Description
Catalog Number:
AG00EAHB
Chemical Name:
2-(2-METHYL-1,3-THIAZOL-4-YL)BENZOIC ACID
CAS Number:
65032-66-8
Molecular Formula:
C11H9NO2S
Molecular Weight:
219.2597
MDL Number:
MFCD09879980
IUPAC Name:
2-(2-methyl-1,3-thiazol-4-yl)benzoic acid
InChI:
InChI=1S/C11H9NO2S/c1-7-12-10(6-15-7)8-4-2-3-5-9(8)11(13)14/h2-6H,1H3,(H,13,14)
InChI Key:
BNRSCIXYHUTATP-UHFFFAOYSA-N
SMILES:
Cc1scc(n1)c1ccccc1C(=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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