ethyl 6-(hydroxyimino)-2-oxatricyclo[5.4.0.0³,?]undeca-1(7),8,10-triene-3-carboxylate

ethyl 6-(hydroxyimino)-2-oxatricyclo[5.4.0.0³,?]undeca-1(7),8,10-triene-3-carboxylate

CAS: 179067-99-3

Formula: C13H13NO4

SMILES: CCOC(=O)C12CC1C(=NO)C1=C(O2)C=CC=C1

IUPAC: ethyl 6-(hydroxyimino)-2-oxatricyclo[5.4.0.0³,?]undeca-1(7),8,10-triene-3-carboxylate

InChI: InChI=1/C13H13NO4/c1-2-17-12(15)13-7-9(13)11(14-16)8-5-3-4-6-10(8)18-13/h3-6,9,16H,2,7H2,1H3

Composition: C (63.15%), H (5.30%), N (5.67%), O (25.88%)

Molar Mass: 247.25

Atom Count: 31

Heavy Atom Count: 18

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	2
Exact Mass	247.084457903
Formal Charge	0
FSP3	0.38
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	FXCTZFMSAHZQTR-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	63.04
Topological Polar Surface Area	68.12
Polarizability	24.65
Ring Count	3
Rotatable Bond Count	3

Suppliers

Molecule Market Select

Purity	LeadTime	CAS	PacketSize	UnitPrice
98%	<7 Days	179067-99-3		$172.85-$1,633.23$172.85$290.84$613.76$1,021.55$1,633.23

AA BLOCKS INC

Supplier Profile

Purity	LeadTime	CAS	PacketSize	UnitPrice
98%	<6 Days	179067-99-3		$42.55-$1,022.35$42.55$116.15$164.45$380.65$612.95$1,022.35