Chemical ID: 6510524

COc1cccc2c1CC(CC2)C(=O)O
Chemical ID:
6510524
Name [?]:
8-methoxytetralin-2-carboxylic acid
SMILES [?]:
COc1cccc2c1CC(CC2)C(=O)O
InChi [?]:
InChI=1/C12H14O3/c1-15-11-4-2-3-8-5-6-9(12(13)14)7-10(8)11/h2-4,9H,5-7H2,1H3,(H,13,14)
InChi Info:
AuxInfo=1/1/N:1,5,6,4,12,11,9,7,10,8,3,13,14,15,2/E:(13,14)/rA:15cCOCCCCCCCCCCCOO/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s10;s7s11;s10;d13;s13;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H14O3
All Atoms:15
Heavy Atoms:15
Chiral Atoms:1
ZAP Information [?]
Total:6.25378
Area:370.603
Solvation:-3.01129
Coulombic:-33.9415
Bond Count [?]
All:16
Single:12
Double:4
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:206.238
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:1.82
LogP (Chemaxon):2.35

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue