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Chemical ID: 6510581
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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