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Chemical ID: 7154730
Chemical ID:
7154730
Name [?]:
2-(carbamoylmethoxy)-3-methoxy-benzoic acid
SMILES [?]:
COc1cccc(c1OCC(=O)N)C(=O)O
InChi [?]:
InChI=1/C10H11NO5/c1-15-7-4-2-3-6(10(13)14)9(7)16-5-8(11)12/h2-4H,5H2,1H3,(H2,11,12)(H,13,14)
InChi Info:
AuxInfo=1/1/N:1,5,6,4,10,7,3,11,8,14,13,12,15,16,2,9/E:(13,14)/rA:16nCOCCCCCCOCCONCOO/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s10;d11;s11;s7;d14;s14;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H11NO5 |
All Atoms: | 27 |
Heavy Atoms: | 16 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 3.22927 |
Area: | 390.311 |
Solvation: | -6.52849 |
Coulombic: | -65.5969 |
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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