2-(2,3-dihydro-1,4-benzodioxin-6-ylformamido)hexanoic acid

2-(2,3-dihydro-1,4-benzodioxin-6-ylformamido)hexanoic acid

CAS: 1009419-86-6

Formula: C15H19NO5

SMILES: CCCCC(NC(=O)C1=CC2=C(OCCO2)C=C1)C(O)=O

IUPAC: 2-[(2,3-dihydro-1,4-benzodioxin-6-yl)formamido]hexanoic acid

InChI: InChI=1/C15H19NO5/c1-2-3-4-11(15(18)19)16-14(17)10-5-6-12-13(9-10)21-8-7-20-12/h5-6,9,11H,2-4,7-8H2,1H3,(H,16,17)(H,18,19)

Composition: C (61.42%), H (6.53%), N (4.78%), O (27.27%)

Molar Mass: 293.319

Atom Count: 40

Heavy Atom Count: 21

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	293.126322716
Formal Charge	0
FSP3	0.47
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
InChIKey	AORPGIXDYDUHBH-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	75.29
Topological Polar Surface Area	84.86
Polarizability	29.1
Ring Count	2
Rotatable Bond Count	6

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