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Chemical ID: 5574240
Chemical ID:
5574240
Name [?]:
ethyl 2-hydroxy-6-methyl-benzoate
SMILES [?]:
CCOC(=O)c1c(cccc1O)C
InChi [?]:
InChI=1/C10H12O3/c1-3-13-10(12)9-7(2)5-4-6-8(9)11/h4-6,11H,3H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,13,2,9,8,10,7,11,6,4,12,5,3/rA:13nCCOCOCCCCCCOC/rB:s1;s2;s3;d4;s4;s6;d7;s8;d9;d6s10;s11;s7;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H12O3 |
All Atoms: | 13 |
Heavy Atoms: | 13 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.57299 |
Area: | 355.658 |
Solvation: | -2.31847 |
Coulombic: | -36.6284 |
Bond Count [?]
All: | 13 |
Single: | 9 |
Double: | 4 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 180.2 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 3.39 |
LogP (Chemaxon): | 2.77 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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