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Chemical ID: 4732063
Chemical ID:
4732063
Name [?]:
ethyl 2,3-dihydroxybenzoate
SMILES [?]:
CCOC(=O)c1cccc(c1O)O
InChi [?]:
InChI=1/C9H10O4/c1-2-13-9(12)6-4-3-5-7(10)8(6)11/h3-5,10-11H,2H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,8,7,9,6,10,11,4,13,12,5,3/rA:13nCCOCOCCCCCCOO/rB:s1;s2;s3;d4;s4;s6;d7;s8;d9;d6s10;s11;s10;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C9H10O4 |
All Atoms: | 13 |
Heavy Atoms: | 13 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 5.07418 |
Area: | 348.994 |
Solvation: | -3.65067 |
Coulombic: | -51.4112 |
Bond Count [?]
All: | 13 |
Single: | 9 |
Double: | 4 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 182.173 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 2.77 |
LogP (Chemaxon): | 2.02 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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