5-(2-methylpropyl)-1,2-oxazole-3-carboxylic acid

5-(2-methylpropyl)-1,2-oxazole-3-carboxylic acid

CAS: 150517-80-9

Formula: C8H11NO3

SMILES: CC(C)CC1=CC(=NO1)C(O)=O

IUPAC: 5-(2-methylpropyl)-1,2-oxazole-3-carboxylic acid

InChI: InChI=1S/C8H11NO3/c1-5(2)3-6-4-7(8(10)11)9-12-6/h4-5H,3H2,1-2H3,(H,10,11)

Composition: C (56.80%), H (6.55%), N (8.28%), O (28.37%)

Molar Mass: 169.18

Atom Count: 23

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	169.073893218
Formal Charge	0
FSP3	0.5
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	CHMDISUDXFJSLN-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	43.21
Topological Polar Surface Area	63.33
Polarizability	16.03
Ring Count	1
Rotatable Bond Count	3

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