Chemical ID: 6689285

COc1ccc2ccccc2c1C(=O)OC
Chemical ID:
6689285
Name [?]:
methyl 2-methoxynaphthalene-1-carboxylate
SMILES [?]:
COc1ccc2ccccc2c1C(=O)OC
InChi [?]:
InChI=1/C13H12O3/c1-15-11-8-7-9-5-3-4-6-10(9)12(11)13(14)16-2/h3-8H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,16,8,9,7,10,5,4,6,11,3,12,13,14,2,15/rA:16nCOCCCCCCCCCCCOOC/rB:s1;s2;s3;d4;s5;s6;d7;s8;d9;d6s10;d3s11;s12;d13;s13;s15;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H12O3
All Atoms:16
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:6.55053
Area:388.69
Solvation:-3.16672
Coulombic:-28.2262
Bond Count [?]
All:17
Single:11
Double:6
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:216.233
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:3.14
LogP (Chemaxon):2.34

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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