Chemical ID: 6510581

CCOC(=O)c1cc(c(cc1N)OC)OC
Chemical ID:
6510581
Name [?]:
ethyl 2-amino-4,5-dimethoxy-benzoate
SMILES [?]:
CCOC(=O)c1cc(c(cc1N)OC)OC
InChi [?]:
InChI=1/C11H15NO4/c1-4-16-11(13)7-5-9(14-2)10(15-3)6-8(7)12/h5-6H,4,12H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,16,14,2,7,10,6,11,8,9,4,12,5,15,13,3/rA:16nCCOCOCCCCCCNOCOC/rB:s1;s2;s3;d4;s4;s6;d7;s8;d9;d6s10;s11;s9;s13;s8;s15;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H15NO4
All Atoms:16
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:5.5791
Area:409.996
Solvation:-4.6708
Coulombic:-49.5505
Bond Count [?]
All:16
Single:12
Double:4
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:225.241
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:1.56
LogP (Chemaxon):1.3

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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