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Chemical ID: 6510524
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
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Experimental Annotations
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Descriptor Annotations
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