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Chemical ID: 6659189
Chemical ID:
6659189
Name [?]:
ethyl 3-acetamido-4-hydroxy-benzoate
SMILES [?]:
CCOC(=O)c1ccc(c(c1)NC(=O)C)O
InChi [?]:
InChI=1/C11H13NO4/c1-3-16-11(15)8-4-5-10(14)9(6-8)12-7(2)13/h4-6,14H,3H2,1-2H3,(H,12,13)
InChi Info:
AuxInfo=1/1/N:1,15,2,7,8,11,13,6,10,9,4,12,14,16,5,3/rA:16nCCOCOCCCCCCNCOCO/rB:s1;s2;s3;d4;s4;s6;d7;s8;d9;d6s10;s10;s12;d13;s13;s9;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H13NO4 |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.98474 |
Area: | 411.345 |
Solvation: | -3.29889 |
Coulombic: | -54.8901 |
Bond Count [?]
All: | 16 |
Single: | 11 |
Double: | 5 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 223.225 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 1.66 |
LogP (Chemaxon): | 0.98 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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