3-(2-methoxyphenyl)-5-methyl-1,2-oxazole-4-carboxylic acid

3-(2-methoxyphenyl)-5-methyl-1,2-oxazole-4-carboxylic acid

CAS: 93041-44-2

Formula: C12H11NO4

SMILES: COC1=C(C=CC=C1)C1=NOC(C)=C1C(O)=O

IUPAC: 3-(2-methoxyphenyl)-5-methyl-1,2-oxazole-4-carboxylic acid

InChI: InChI=1S/C12H11NO4/c1-7-10(12(14)15)11(13-17-7)8-5-3-4-6-9(8)16-2/h3-6H,1-2H3,(H,14,15)

Composition: C (61.80%), H (4.75%), N (6.01%), O (27.44%)

Molar Mass: 233.223

Atom Count: 28

Heavy Atom Count: 17

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	233.068807838
Formal Charge	0
FSP3	0.17
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	KOQSJBSGCNLIJY-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	61.13
Topological Polar Surface Area	72.56
Polarizability	23.9
Ring Count	2
Rotatable Bond Count	3

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