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Chemical ID: 5578807
Chemical ID:
5578807
Name [?]:
2-[2-(carboxymethyl)cyclohexyl]acetic acid
SMILES [?]:
C1CCC(C(C1)CC(=O)O)CC(=O)O
InChi [?]:
InChI=1/C10H16O4/c11-9(12)5-7-3-1-2-4-8(7)6-10(13)14/h7-8H,1-6H2,(H,11,12)(H,13,14)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,7,11,5,4,8,12,9,10,13,14/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12,13,14)/gE:(1,2)/rA:14cCCCCCCCCOOCCOO/rB:s1;s2;s3;s4;s1s5;s5;s7;d8;s8;s4;s11;d12;s12;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H16O4 |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 6.25402 |
Area: | 366.335 |
Solvation: | -2.90435 |
Coulombic: | -51.5098 |
Bond Count [?]
All: | 14 |
Single: | 12 |
Double: | 2 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 200.232 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 1.82 |
LogP (Chemaxon): | 1.37 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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