Chemical ID: 5817234

COc1cc2c(cc1OC)CC(=O)CC2
Chemical ID:
5817234
Name [?]:
6,7-dimethoxytetralin-2-one
SMILES [?]:
COc1cc2c(cc1OC)CC(=O)CC2
InChi [?]:
InChI=1/C12H14O3/c1-14-11-6-8-3-4-10(13)5-9(8)7-12(11)15-2/h6-7H,3-5H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,10,15,14,11,4,7,5,6,12,3,8,13,2,9/rA:15nCOCCCCCCOCCCOCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s6;s11;d12;s12;s5s14;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H14O3
All Atoms:15
Heavy Atoms:15
Chiral Atoms:0
ZAP Information [?]
Total:3.88542
Area:372.853
Solvation:-5.4359
Coulombic:-20.0173
Bond Count [?]
All:16
Single:12
Double:4
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:206.238
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:0.95
LogP (Chemaxon):1.91

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Descriptor Annotations

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