Chemical ID: 6427247

CCOC(=O)CC(=O)c1ccc2ccccc2c1
Chemical ID:
6427247
Name [?]:
ethyl 3-(2-naphthyl)-3-oxo-propanoate
SMILES [?]:
CCOC(=O)CC(=O)c1ccc2ccccc2c1
InChi [?]:
InChI=1/C15H14O3/c1-2-18-15(17)10-14(16)13-8-7-11-5-3-4-6-12(11)9-13/h3-9H,2,10H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,14,15,13,16,11,10,18,6,12,17,9,7,4,8,5,3/rA:18nCCOCOCCOCCCCCCCCCC/rB:s1;s2;s3;d4;s4;s6;d7;s7;s9;d10;s11;s12;d13;s14;d15;d12s16;d9s17;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H14O3
All Atoms:18
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:7.14001
Area:441.746
Solvation:-3.90363
Coulombic:-25.5013
Bond Count [?]
All:19
Single:12
Double:7
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:242.27
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:3.65
LogP (Chemaxon):2.59

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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