methyl 2-propyl-1,3-benzoxazole-5-carboxylate

methyl 2-propyl-1,3-benzoxazole-5-carboxylate

CAS: 924869-24-9

Formula: C12H13NO3

SMILES: CCCC1=NC2=CC(=CC=C2O1)C(=O)OC

IUPAC: methyl 2-propyl-1,3-benzoxazole-5-carboxylate

InChI: InChI=1S/C12H13NO3/c1-3-4-11-13-9-7-8(12(14)15-2)5-6-10(9)16-11/h5-7H,3-4H2,1-2H3

Composition: C (65.74%), H (5.98%), N (6.39%), O (21.89%)

Molar Mass: 219.24

Atom Count: 29

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	219.089543283
Formal Charge	0
FSP3	0.33
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	GKFXUIGLVKIJGX-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	58.42
Topological Polar Surface Area	52.33
Polarizability	23.69
Ring Count	2
Rotatable Bond Count	4

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Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<2 Days	924869-24-9		$51.35-$674.07$51.35$63.37$86.31$143.12$225.06$674.07