3-(2H-1,3-benzodioxol-5-yl)-3-{1,4-dioxa-8-azaspiro[4.5]decan-8-yl}propanoic acid

3-(2H-1,3-benzodioxol-5-yl)-3-{1,4-dioxa-8-azaspiro[4.5]decan-8-yl}propanoic acid

CAS: 886361-92-8

Formula: C17H21NO6

SMILES: OC(=O)CC(N1CCC2(CC1)OCCO2)C1=CC2=C(OCO2)C=C1

IUPAC: 3-(2H-1,3-benzodioxol-5-yl)-3-{1,4-dioxa-8-azaspiro[4.5]decan-8-yl}propanoic acid

InChI: InChI=1/C17H21NO6/c19-16(20)10-13(12-1-2-14-15(9-12)22-11-21-14)18-5-3-17(4-6-18)23-7-8-24-17/h1-2,9,13H,3-8,10-11H2,(H,19,20)

Composition: C (60.89%), H (6.31%), N (4.18%), O (28.62%)

Molar Mass: 335.356

Atom Count: 45

Heavy Atom Count: 24

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	335.1368874
Formal Charge	0
FSP3	0.59
Hetero Ring Count	3
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	1
InChIKey	BFIDUHPIMJZCRB-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	82.72
Topological Polar Surface Area	77.46
Polarizability	33.25
Ring Count	4
Rotatable Bond Count	4

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Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<2 Days	886361-92-8		$51.35-$539.70$51.35$63.37$86.31$113.62$180.26$539.70