Chemical ID: 4119540

C1C2C=CC1C(C2C(=O)NCCO)C(=O)O
Chemical ID:
4119540
Name [?]:
6-(2-hydroxyethylcarbamoyl)bicyclo[2.2.1]hept-2-ene-5-carboxylic acid
SMILES [?]:
C1C2C=CC1C(C2C(=O)NCCO)C(=O)O
InChi [?]:
InChI=1/C11H15NO4/c13-4-3-12-10(14)8-6-1-2-7(5-6)9(8)11(15)16/h1-2,6-9,13H,3-5H2,(H,12,14)(H,15,16)
InChi Info:
AuxInfo=1/1/N:3,4,11,12,1,2,5,7,6,8,14,10,13,9,15,16/E:(15,16)/rA:16cCCCCCCCCONCCOCOO/rB:s1;s2;d3;s1s4;s5;s2s6;s7;d8;s8;s10;s11;s12;s6;d14;s14;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H15NO4
All Atoms:16
Heavy Atoms:16
Chiral Atoms:4
ZAP Information [?]
Total:6.05669
Area:395.686
Solvation:-3.83547
Coulombic:-62.987
Bond Count [?]
All:17
Single:14
Double:3
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:225.241
H-Bond Donors:3
H-Bond Acceptors:5
XLogP:-0.66
LogP (Chemaxon):-0.52

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