Chemical ID: 7154725

COc1cc(ccc1OCC(=O)N)C(=O)O
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

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