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Ethyl α-oxo-9-phenanthreneacetate

CAT: 0127-OR1083307Size: 1 EachDry Ice: NoHazardous: No
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CAS Number
139746-29-5
MDL Number
MFCD09801437
Smiles
C (=O) (C (=O) OCC) c1c2c (c3c (c1) cccc3) cccc2

Chemical Information

Ethyl 9-phenanthroylformate
CAS Number139746-29-5
PubChem CID15020962
IUPAC Nameethyl 2-oxo-2-phenanthren-9-ylacetate
Molecular FormulaC18H14O3
Molecular Weight278.3
XLogP4.5
Topological Polar Surface Area43.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Heavy Atom Count21
Formal Charge0
Complexity403
SMILES
CCOC(=O)C(=O)C1=CC2=CC=CC=C2C3=CC=CC=C31
InChI
InChI=1S/C18H14O3/c1-2-21-18(20)17(19)16-11-12-7-3-4-8-13(12)14-9-5-6-10-15(14)16/h3-11H,2H2,1H3
InChIKey
RDMOHFCKCJWTCG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Ethyl 9-phenanthroylformate
CAS: 139746-29-5
CID: 15020962
Formula: C18H14O3
MW: 278.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight278.3
XLogP34.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass278.094294304
Monoisotopic Mass278.094294304
Topological Polar Surface Area43.4 Ų
Heavy Atom Count21
Formal Charge0
Complexity403
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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457677-01N-[2- (Dimethylamino) ethyl]-9,10-dihydro-9-oxo-4-acridinecarboxamide
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