3-[2-(diethylamino)ethyl]-4-oxo-10-oxa-3-azatricyclo[5.2.1.0¹,?]dec-8-ene-6-carboxylic acid

3-[2-(diethylamino)ethyl]-4-oxo-10-oxa-3-azatricyclo[5.2.1.0¹,?]dec-8-ene-6-carboxylic acid

CAS: 1005060-07-0

Formula: C15H22N2O4

SMILES: CCN(CC)CCN1CC23OC(C=C2)C(C3C1=O)C(O)=O

IUPAC: 3-[2-(diethylamino)ethyl]-4-oxo-10-oxa-3-azatricyclo[5.2.1.0¹,?]dec-8-ene-6-carboxylic acid

InChI: InChI=1/C15H22N2O4/c1-3-16(4-2)7-8-17-9-15-6-5-10(21-15)11(14(19)20)12(15)13(17)18/h5-6,10-12H,3-4,7-9H2,1-2H3,(H,19,20)

Composition: C (61.21%), H (7.53%), N (9.52%), O (21.74%)

Molar Mass: 294.351

Atom Count: 43

Heavy Atom Count: 21

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	4
Exact Mass	294.157957196
Formal Charge	0
FSP3	0.73
Hetero Ring Count	3
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
InChIKey	KMCWJCUNYIWRDS-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	77.47
Topological Polar Surface Area	70.08
Polarizability	29.93
Ring Count	3
Rotatable Bond Count	6

Suppliers

MATRIX SCIENTIFIC

Supplier Profile

Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<2 Days	1005060-07-0		$213.90-$329.41$213.90$329.41