Chemical ID: 7116905

CCOc1cc(c(cc1OCC)N)C(=O)O
Chemical ID:
7116905
Name [?]:
2-amino-4,5-diethoxy-benzoic acid
SMILES [?]:
CCOc1cc(c(cc1OCC)N)C(=O)O
InChi [?]:
InChI=1/C11H15NO4/c1-3-15-9-5-7(11(13)14)8(12)6-10(9)16-4-2/h5-6H,3-4,12H2,1-2H3,(H,13,14)
InChi Info:
AuxInfo=1/1/N:1,12,2,11,5,8,6,7,4,9,14,13,15,16,3,10/E:(13,14)/rA:16nCCOCCCCCCOCCNCOO/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;s11;s7;s6;d14;s14;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H15NO4
All Atoms:31
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:5.66499
Area:410.092
Solvation:-4.5873
Coulombic:-57.3665
Bond Count [?]
All:16
Single:12
Double:4
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:225.241
H-Bond Donors:3
H-Bond Acceptors:5
XLogP:1.87
LogP (Chemaxon):1.61

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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