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Chemical ID: 7114636
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
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Experimental Annotations
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Descriptor Annotations
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