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Firefly luciferase-IN-1

CAT: 0607-C8470-5Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0607-C8470-5Size:5 mg
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CAS Number
2765796-41-4
Molecular Formula
C19H16O3
Molecular Weight
292.33
Storage Conditions
Store at -20°C
Physical Properties
A solid

Chemical Information

Firefly luciferase-IN-1
CAS Number2765796-41-4
PubChem CID163214103
IUPAC Name(6E)-6-[(4-methylphenyl)methylidene]-5-oxo-7,8-dihydronaphthalene-2-carboxylic acid
Molecular FormulaC19H16O3
Molecular Weight292.3
XLogP4
Topological Polar Surface Area54.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count22
Formal Charge0
Complexity471
SMILES
CC1=CC=C(C=C1)/C=C/2\CCC3=C(C2=O)C=CC(=C3)C(=O)O
InChI
InChI=1S/C19H16O3/c1-12-2-4-13(5-3-12)10-15-7-6-14-11-16(19(21)22)8-9-17(14)18(15)20/h2-5,8-11H,6-7H2,1H3,(H,21,22)/b15-10+
InChIKey
HEEMJVLKXPNKTL-XNTDXEJSSA-N
Chemical Structure
2D Structure
2D structure of Firefly luciferase-IN-1
CAS: 2765796-41-4
CID: 163214103
Formula: C19H16O3
MW: 292.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight292.3
XLogP34
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass292.109944368
Monoisotopic Mass292.109944368
Topological Polar Surface Area54.4 Ų
Heavy Atom Count22
Formal Charge0
Complexity471
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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