(3S)-oxan-3-ylmethyl benzoate

(3S)-oxan-3-ylmethyl benzoate

CAS: 219701-50-5

Formula: C13H16O3

SMILES: O=C(OC[C@H]1CCCOC1)C1=CC=CC=C1

IUPAC: [(3S)-oxan-3-yl]methyl benzoate

InChI: InChI=1S/C13H16O3/c14-13(12-6-2-1-3-7-12)16-10-11-5-4-8-15-9-11/h1-3,6-7,11H,4-5,8-10H2/t11-/m0/s1

Composition: C (70.89%), H (7.32%), O (21.79%)

Molar Mass: 220.268

Atom Count: 32

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	220.109944375
Formal Charge	0
FSP3	0.46
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	WENZOXDGFQZGOW-NSHDSACASA-N
Lipinski's Rule of Five	1
Molar Refractivity	61.28
Topological Polar Surface Area	35.53
Polarizability	23.92
Ring Count	2
Rotatable Bond Count	4

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Purity	LeadTime	CAS	PacketSize	UnitPrice
97%	<5 Days	219701-50-5		$433.78-$698.59$433.78$698.59