4-(2-methyl-1,3-thiazol-4-yl)benzoic acid

4-(2-methyl-1,3-thiazol-4-yl)benzoic acid

CAS: 294620-60-3

Formula: C11H9NO2S

SMILES: CC1=NC(=CS1)C1=CC=C(C=C1)C(O)=O

IUPAC: 4-(2-methyl-1,3-thiazol-4-yl)benzoic acid

InChI: InChI=1S/C11H9NO2S/c1-7-12-10(6-15-7)8-2-4-9(5-3-8)11(13)14/h2-6H,1H3,(H,13,14)

Composition: C (60.26%), H (4.14%), N (6.39%), O (14.59%), S (14.62%)

Molar Mass: 219.26

Atom Count: 24

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	219.035399708
Formal Charge	0
FSP3	0.09
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	NYJHTTLXERQUIV-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	57.73
Topological Polar Surface Area	50.19
Polarizability	23.13
Ring Count	2
Rotatable Bond Count	2

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