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BAS 00489700

CAT: 0013-GTR19184232-07Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19184232-07Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
BAS 00489700
CAS Number
306969-25-5
Product Name Alternative
N-UTR
Field of Research
Metabolism Research, Pharmacology & Drug Discovery, Signal Transduction
Purity
99.20% (May vary between batches)
Solubility
DMSO:22.5 mg/mL (66.9 mM)
Smiles
OC (=O) C1=C2NC (C3CC=CC3C2=CC=C1) C1=CC=CC (=C1) [N+] ([O-]) =O
Molecular Formula
C19H16N2O4
Molecular Weight
336.34
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

4-(3-nitrophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-6-carboxylic acid
CAS Number306969-25-5
PubChem CID2854262
IUPAC Name4-(3-nitrophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-6-carboxylic acid
Molecular FormulaC19H16N2O4
Molecular Weight336.3
XLogP3.7
Topological Polar Surface Area95.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Heavy Atom Count25
Formal Charge0
Complexity572
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
2D structure of 4-(3-nitrophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-6-carboxylic acid
CAS: 306969-25-5
CID: 2854262
Formula: C19H16N2O4
MW: 336.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight336.3
XLogP33.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Exact Mass336.11100700
Monoisotopic Mass336.11100700
Topological Polar Surface Area95.2 Ų
Heavy Atom Count25
Formal Charge0
Complexity572
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count3
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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