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Chemical ID: 4993571
Chemical ID:
4993571
Name [?]:
10-hydroxyundecanoic acid
SMILES [?]:
CC(CCCCCCCCC(=O)O)O
InChi [?]:
InChI=1/C11H22O3/c1-10(12)8-6-4-2-3-5-7-9-11(13)14/h10,12H,2-9H2,1H3,(H,13,14)
InChi Info:
AuxInfo=1/1/N:1,6,7,5,8,4,9,3,10,2,11,14,12,13/E:(13,14)/rA:14cCCCCCCCCCCCOOO/rB:s1;s2;s3;s4;s5;s6;s7;s8;s9;s10;d11;s11;s2;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H22O3 |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 8.25818 |
Area: | 441.303 |
Solvation: | -2.77441 |
Coulombic: | -43.6809 |
Bond Count [?]
All: | 13 |
Single: | 12 |
Double: | 1 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 202.291 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 3 |
XLogP: | 2.85 |
LogP (Chemaxon): | 2.5 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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