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Chemical ID: 6663187
Chemical ID:
6663187
Name [?]:
ethyl 2-(1-naphthyl)acetate
SMILES [?]:
CCOC(=O)Cc1cccc2c1cccc2
InChi [?]:
InChI=1/C14H14O2/c1-2-16-14(15)10-12-8-5-7-11-6-3-4-9-13(11)12/h3-9H,2,10H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,15,14,9,16,10,8,13,6,11,7,12,4,5,3/rA:16nCCOCOCCCCCCCCCCC/rB:s1;s2;s3;d4;s4;s6;s7;d8;s9;d10;d7s11;s12;d13;s14;s11d15;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H14O2 |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.76764 |
Area: | 398.606 |
Solvation: | -2.19751 |
Coulombic: | -20.1592 |
Bond Count [?]
All: | 17 |
Single: | 11 |
Double: | 6 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 214.26 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 3.46 |
LogP (Chemaxon): | 3.05 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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