Chemical ID: 4259724

COc1cccc2c1cccc2
Chemical ID:
4259724
Name [?]:
1-methoxynaphthalene
SMILES [?]:
COc1cccc2c1cccc2
InChi [?]:
InChI=1/C11H10O/c1-12-11-8-4-6-9-5-2-3-7-10(9)11/h2-8H,1H3
InChi Info:
AuxInfo=1/0/N:1,11,10,5,12,6,9,4,7,8,3,2/rA:12nCOCCCCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;d9;s10;s7d11;/rC:;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H10O
All Atoms:12
Heavy Atoms:12
Chiral Atoms:0
ZAP Information [?]
Total:5.91266
Area:314.249
Solvation:-1.94357
Coulombic:-9.77401
Bond Count [?]
All:13
Single:8
Double:5
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:158.197
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:3.2
LogP (Chemaxon):2.8

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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