4-{8,10-dinitro-2,4-dioxo-3-azatricyclo[7.3.1.0?,¹³]trideca-1(13),5,7,9,11-pentaen-3-yl}butanoic acid

4-{8,10-dinitro-2,4-dioxo-3-azatricyclo[7.3.1.0?,¹³]trideca-1(13),5,7,9,11-pentaen-3-yl}butanoic acid

Formula: C16H11N3O8

SMILES: OC(=O)CCCN1C(=O)C2=CC=C(C3=C(C=CC(C1=O)=C23)[N+]([O-])=O)[N+]([O-])=O

IUPAC: 4-{8,10-dinitro-2,4-dioxo-3-azatricyclo[7.3.1.0?,¹³]trideca-1(13),5,7,9,11-pentaen-3-yl}butanoic acid

InChI: InChI=1S/C16H11N3O8/c20-12(21)2-1-7-17-15(22)8-3-5-10(18(24)25)14-11(19(26)27)6-4-9(13(8)14)16(17)23/h3-6H,1-2,7H2,(H,20,21)

Composition: C (51.48%), H (2.97%), N (11.26%), O (34.29%)

Molar Mass: 373.277

Atom Count: 38

Heavy Atom Count: 27

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	373.054614326
Formal Charge	0
FSP3	0.19
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	8
Hydrogen Bond Donor Count	1
InChIKey	WLYZEWWLRWSMGI-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	88.84
Topological Polar Surface Area	160.96
Polarizability	33.5
Ring Count	3
Rotatable Bond Count	6

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C16H11N3O8		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00