2-(2H-1,3-benzodioxol-5-yloxy)butanoic acid

2-(2H-1,3-benzodioxol-5-yloxy)butanoic acid

CAS: 869946-46-3

Formula: C11H12O5

SMILES: CCC(OC1=CC2=C(OCO2)C=C1)C(O)=O

IUPAC: 2-(2H-1,3-benzodioxol-5-yloxy)butanoic acid

InChI: InChI=1/C11H12O5/c1-2-8(11(12)13)16-7-3-4-9-10(5-7)15-6-14-9/h3-5,8H,2,6H2,1H3,(H,12,13)

Composition: C (58.93%), H (5.39%), O (35.68%)

Molar Mass: 224.212

Atom Count: 28

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	224.068473486
Formal Charge	0
FSP3	0.36
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
InChIKey	CSSQXZIEIAKRFC-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	53.39
Topological Polar Surface Area	64.99
Polarizability	21.44
Ring Count	2
Rotatable Bond Count	4

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