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Chemical ID: 7154725
Chemical ID:
7154725
Name [?]:
4-(carbamoylmethoxy)-3-methoxy-benzoic acid
SMILES [?]:
COc1cc(ccc1OCC(=O)N)C(=O)O
InChi [?]:
InChI=1/C10H11NO5/c1-15-8-4-6(10(13)14)2-3-7(8)16-5-9(11)12/h2-4H,5H2,1H3,(H2,11,12)(H,13,14)
InChi Info:
AuxInfo=1/1/N:1,6,7,4,10,5,8,3,11,14,13,12,15,16,2,9/E:(13,14)/rA:16nCOCCCCCCOCCONCOO/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s10;d11;s11;s5;d14;s14;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H11NO5 |
All Atoms: | 27 |
Heavy Atoms: | 16 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 3.17127 |
Area: | 404.909 |
Solvation: | -6.95146 |
Coulombic: | -64.8313 |
Bond Count [?]
All: | 16 |
Single: | 11 |
Double: | 5 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 225.198 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 6 |
XLogP: | -0.15 |
LogP (Chemaxon): | -0.27 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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