Chemical ID: 7114636

CC12CCC(C1(C)CCC(=O)O)CC2=O
Chemical ID:
7114636
Name [?]:
3-(1,7-dimethyl-2-oxo-norbornan-7-yl)propanoic acid
SMILES [?]:
CC12CCC(C1(C)CCC(=O)O)CC2=O
InChi [?]:
InChI=1/C12H18O3/c1-11(6-4-10(14)15)8-3-5-12(11,2)9(13)7-8/h8H,3-7H2,1-2H3,(H,14,15)
InChi Info:
AuxInfo=1/1/N:7,1,4,9,3,8,13,5,14,10,6,2,15,11,12/E:(14,15)/rA:15cCCCCCCCCCCOOCCO/rB:s1;s2;s3;s4;s2s5;s6;s6;s8;s9;d10;s10;s5;s2s13;d14;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H18O3
All Atoms:33
Heavy Atoms:15
Chiral Atoms:3
ZAP Information [?]
Total:6.3751
Area:377.07
Solvation:-3.05166
Coulombic:-33.0085
Bond Count [?]
All:16
Single:14
Double:2
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:210.27
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:1.39
LogP (Chemaxon):2.51

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue