Chemical ID: 5160973

C1CC2CCC1C(C2CC(=O)O)CC(=O)O
Chemical ID:
5160973
Name [?]:
2-[5-(carboxymethyl)-6-bicyclo[2.2.2]octyl]acetic acid
SMILES [?]:
C1CC2CCC1C(C2CC(=O)O)CC(=O)O
InChi [?]:
InChI=1/C12H18O4/c13-11(14)5-9-7-1-2-8(4-3-7)10(9)6-12(15)16/h7-10H,1-6H2,(H,13,14)(H,15,16)
InChi Info:
AuxInfo=1/1/N:1,2,5,4,13,9,6,3,7,8,14,10,15,16,11,12/E:(1,2,3,4)(5,6)(7,8)(9,10)(11,12)(13,14,15,16)/gE:(1,2)/rA:16cCCCCCCCCCCOOCCOO/rB:s1;s2;s3;s4;s1s5;s6;s3s7;s8;s9;d10;s10;s7;s13;d14;s14;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H18O4
All Atoms:16
Heavy Atoms:16
Chiral Atoms:2
ZAP Information [?]
Total:6.88741
Area:386.082
Solvation:-2.76463
Coulombic:-51.943
Bond Count [?]
All:17
Single:15
Double:2
Rotors:4
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:226.269
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:2.5
LogP (Chemaxon):1.52

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