p67phox-IN-1

CAT: 0607-BA5807-1Size: 1 mgDry Ice: NoHazardous: No

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CAT#:0607-BA5807-1Size:1 mg

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CAS Number

306969-25-5

Molecular Formula

C19H16N2O4

Molecular Weight

336.34

Shipping Conditions

Blue ice

Storage Conditions

-20°C.

Chemical Information

4-(3-nitrophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-6-carboxylic acid

CAS Number	306969-25-5
PubChem CID	2854262
IUPAC Name	4-(3-nitrophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-6-carboxylic acid
Molecular Formula	C19H16N2O4
Molecular Weight	336.3
XLogP	3.7
Topological Polar Surface Area	95.2
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	2
Heavy Atom Count	25
Formal Charge	0
Complexity	572

SMILES

C1C=CC2C1C(NC3=C2C=CC=C3C(=O)O)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C19H16N2O4/c22-19(23)16-9-3-8-15-13-6-2-7-14(13)17(20-18(15)16)11-4-1-5-12(10-11)21(24)25/h1-6,8-10,13-14,17,20H,7H2,(H,22,23)

InChIKey

SLZXXWORYGGPLE-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 306969-25-5

CID: 2854262

Formula: C19H16N2O4

MW: 336.3

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	336.3
XLogP3	3.7
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	2
Exact Mass	336.11100700
Monoisotopic Mass	336.11100700
Topological Polar Surface Area	95.2 Å²
Heavy Atom Count	25
Formal Charge	0
Complexity	572
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	3
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes