Chemical ID: 7154730

COc1cccc(c1OCC(=O)N)C(=O)O
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

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