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Chemical ID: 5181467
Chemical ID:
5181467
Name [?]:
2-[2-(carboxymethyl)-2-methyl-cyclohexyl]acetic acid
SMILES [?]:
CC1(CCCCC1CC(=O)O)CC(=O)O
InChi [?]:
InChI=1/C11H18O4/c1-11(7-10(14)15)5-3-2-4-8(11)6-9(12)13/h8H,2-7H2,1H3,(H,12,13)(H,14,15)
InChi Info:
AuxInfo=1/1/N:1,5,4,6,3,8,12,7,9,13,2,10,11,14,15/E:(12,13)(14,15)/rA:15cCCCCCCCCCOOCCOO/rB:s1;s2;s3;s4;s5;s2s6;s7;s8;d9;s9;s2;s12;d13;s13;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H18O4 |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 6.58061 |
Area: | 375.313 |
Solvation: | -2.80221 |
Coulombic: | -51.9745 |
Bond Count [?]
All: | 15 |
Single: | 13 |
Double: | 2 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 214.258 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 2.43 |
LogP (Chemaxon): | 1.8 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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