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Chemical ID: 6427247
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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