Chemical ID: 6663187

CCOC(=O)Cc1cccc2c1cccc2
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

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Descriptor Annotations

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