4-(oxan-4-yl)benzoic acid

4-(oxan-4-yl)benzoic acid

CAS: 1086391-97-0

Formula: C12H14O3

SMILES: OC(=O)C1=CC=C(C=C1)C1CCOCC1

IUPAC: 4-(oxan-4-yl)benzoic acid

InChI: InChI=1S/C12H14O3/c13-12(14)11-3-1-9(2-4-11)10-5-7-15-8-6-10/h1-4,10H,5-8H2,(H,13,14)

Composition: C (69.89%), H (6.84%), O (23.27%)

Molar Mass: 206.241

Atom Count: 29

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	206.094294311
Formal Charge	0
FSP3	0.42
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	UOTCSFXNJIBLLZ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	57.05
Topological Polar Surface Area	46.53
Polarizability	21.75
Ring Count	2
Rotatable Bond Count	2

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