2-methoxy-4-methyl-1,3-thiazole-5-carboxylic acid

2-methoxy-4-methyl-1,3-thiazole-5-carboxylic acid

CAS: 126909-38-4

Formula: C6H7NO3S

SMILES: COC1=NC(C)=C(S1)C(O)=O

IUPAC: 2-methoxy-4-methyl-1,3-thiazole-5-carboxylic acid

InChI: InChI=1S/C6H7NO3S/c1-3-4(5(8)9)11-6(7-3)10-2/h1-2H3,(H,8,9)

Composition: C (41.61%), H (4.07%), N (8.09%), O (27.71%), S (18.51%)

Molar Mass: 173.19

Atom Count: 18

Heavy Atom Count: 11

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	173.014664263
Formal Charge	0
FSP3	0.33
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	NNMGTKSNBXYSER-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	38.83
Topological Polar Surface Area	59.42
Polarizability	14.94
Ring Count	1
Rotatable Bond Count	2

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