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

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

CAS: 90643-65-5

Formula: C9H13NO3

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

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

InChI: InChI=1S/C9H13NO3/c1-5(2)4-7-8(9(11)12)6(3)10-13-7/h5H,4H2,1-3H3,(H,11,12)

Composition: C (59.00%), H (7.15%), N (7.65%), O (26.20%)

Molar Mass: 183.207

Atom Count: 26

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	183.089543283
Formal Charge	0
FSP3	0.56
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	PAYRNPYQQKCATQ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	48.17
Topological Polar Surface Area	63.33
Polarizability	17.77
Ring Count	1
Rotatable Bond Count	3

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Purity	LeadTime	CAS	PacketSize	UnitPrice
96%	<2 Days	90643-65-5		$179.40-$4,597.70$179.40$243.80$373.75$631.35$1,147.70$4,597.70