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Chemical ID: 6660685
Chemical ID:
6660685
Name [?]:
ethyl 4-hydroxy-3-methoxy-benzoate
SMILES [?]:
CCOC(=O)c1ccc(c(c1)OC)O
InChi [?]:
InChI=1/C10H12O4/c1-3-14-10(12)7-4-5-8(11)9(6-7)13-2/h4-6,11H,3H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,13,2,7,8,11,6,9,10,4,14,5,12,3/rA:14nCCOCOCCCCCCOCO/rB:s1;s2;s3;d4;s4;s6;d7;s8;d9;d6s10;s10;s12;s9;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H12O4 |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 5.63293 |
Area: | 376.279 |
Solvation: | -3.77404 |
Coulombic: | -42.9105 |
Bond Count [?]
All: | 14 |
Single: | 10 |
Double: | 4 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 196.2 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 1.89 |
LogP (Chemaxon): | 1.4 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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