NQDI 1 500mg

CAT: 0628-A12838-500Size: 500 mgDry Ice: NoHazardous: No

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CAT#:0628-A12838-500Size:500 mg

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CAS Number

175026-96-7

Chemical Information

ethyl 2,7-dioxo-2,7-dihydro-3H-naphtho[1,2,3-de]quinoline-1-carboxylate

CAS Number	175026-96-7
PubChem CID	5522952
IUPAC Name	ethyl 8,15-dioxo-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12-heptaene-16-carboxylate
Molecular Formula	C19H13NO4
Molecular Weight	319.3
XLogP	2.5
Topological Polar Surface Area	72.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Heavy Atom Count	24
Formal Charge	0
Complexity	623

SMILES

CCOC(=O)C1=C2C3=CC=CC=C3C(=O)C4=C2C(=CC=C4)NC1=O

InChI

InChI=1S/C19H13NO4/c1-2-24-19(23)16-15-10-6-3-4-7-11(10)17(21)12-8-5-9-13(14(12)15)20-18(16)22/h3-9H,2H2,1H3,(H,20,22)

InChIKey

UFJGFNHRMPMALC-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 175026-96-7

CID: 5522952

Formula: C19H13NO4

MW: 319.3

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	319.3
XLogP3	2.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	319.08445790
Monoisotopic Mass	319.08445790
Topological Polar Surface Area	72.5 Å²
Heavy Atom Count	24
Formal Charge	0
Complexity	623
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
A4474-50	NQDI 1
T3101-01	NQDI-1