Chemical ID: 5122413

C1CCC2C(C1)C(CCC2=O)C(=O)O
Chemical ID:
5122413
Name [?]:
4-oxodecalin-1-carboxylic acid
SMILES [?]:
C1CCC2C(C1)C(CCC2=O)C(=O)O
InChi [?]:
InChI=1/C11H16O3/c12-10-6-5-9(11(13)14)7-3-1-2-4-8(7)10/h7-9H,1-6H2,(H,13,14)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,8,9,5,4,7,10,12,11,13,14/E:(13,14)/rA:14cCCCCCCCCCCOCOO/rB:s1;s2;s3;s4;s1s5;s5;s7;s8;s4s9;d10;s7;d12;s12;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H16O3
All Atoms:14
Heavy Atoms:14
Chiral Atoms:3
ZAP Information [?]
Total:5.93503
Area:344.139
Solvation:-2.66845
Coulombic:-32.9107
Bond Count [?]
All:15
Single:13
Double:2
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:196.243
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:1.36
LogP (Chemaxon):2.04

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