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Coumarin 30 200mg

CAT: 0628-A13077-200Size: 200 mgDry Ice: NoHazardous: No
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CAT#:0628-A13077-200Size:200 mg
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CAS Number
41044-12-6

Chemical Information

Coumarin 30

Tris(3-(trifluoromethyl)phenyl)antimony is a chemical compound of antimony. Antimony is a metallic element with the chemical symbol Sb and atomic number 51. Small amounts of antimony are found in the earth's crust. (L741, L808)

CAS Number41044-12-6
PubChem CID100335
IUPAC Name7-(diethylamino)-3-(1-methylbenzimidazol-2-yl)chromen-2-one
Molecular FormulaC21H21N3O2
Molecular Weight347.4
XLogP4
Topological Polar Surface Area47.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Heavy Atom Count26
Formal Charge0
Complexity559
SMILES
CCN(CC)C1=CC2=C(C=C1)C=C(C(=O)O2)C3=NC4=CC=CC=C4N3C
InChI
InChI=1S/C21H21N3O2/c1-4-24(5-2)15-11-10-14-12-16(21(25)26-19(14)13-15)20-22-17-8-6-7-9-18(17)23(20)3/h6-13H,4-5H2,1-3H3
InChIKey
KZFUMWVJJNDGAU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Coumarin 30
CAS: 41044-12-6
CID: 100335
Formula: C21H21N3O2
MW: 347.4
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight347.4
XLogP34
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass347.16337692
Monoisotopic Mass347.16337692
Topological Polar Surface Area47.4 Ų
Heavy Atom Count26
Formal Charge0
Complexity559
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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