Chemical ID: 7159876

CCOc1cccc(c1OCC(=O)N)C(=O)O
Chemical ID:
7159876
Name [?]:
2-(carbamoylmethoxy)-3-ethoxy-benzoic acid
SMILES [?]:
CCOc1cccc(c1OCC(=O)N)C(=O)O
InChi [?]:
InChI=1/C11H13NO5/c1-2-16-8-5-3-4-7(11(14)15)10(8)17-6-9(12)13/h3-5H,2,6H2,1H3,(H2,12,13)(H,14,15)
InChi Info:
AuxInfo=1/1/N:1,2,6,7,5,11,8,4,12,9,15,14,13,16,17,3,10/E:(14,15)/rA:17nCCOCCCCCCOCCONCOO/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;s11;d12;s12;s8;d15;s15;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H13NO5
All Atoms:30
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:4.01645
Area:417.195
Solvation:-6.41341
Coulombic:-65.8672
Bond Count [?]
All:17
Single:12
Double:5
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:239.225
H-Bond Donors:3
H-Bond Acceptors:6
XLogP:0.28
LogP (Chemaxon):0.08

Name Annotations

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Descriptor Annotations

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