Chemical ID: 5574240

CCOC(=O)c1c(cccc1O)C
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

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Experimental Annotations

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Descriptor Annotations

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