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Chemical ID: 6676562
Chemical ID:
6676562
Name [?]:
9-hydroxydecanoic acid
SMILES [?]:
CC(CCCCCCCC(=O)O)O
InChi [?]:
InChI=1/C10H20O3/c1-9(11)7-5-3-2-4-6-8-10(12)13/h9,11H,2-8H2,1H3,(H,12,13)
InChi Info:
AuxInfo=1/1/N:1,6,5,7,4,8,3,9,2,10,13,11,12/E:(12,13)/rA:13cCCCCCCCCCCOOO/rB:s1;s2;s3;s4;s5;s6;s7;s8;s9;d10;s10;s2;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H20O3 |
All Atoms: | 13 |
Heavy Atoms: | 13 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 7.52938 |
Area: | 411.858 |
Solvation: | -2.76706 |
Coulombic: | -43.3669 |
Bond Count [?]
All: | 12 |
Single: | 11 |
Double: | 1 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 188.264 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 3 |
XLogP: | 2.28 |
LogP (Chemaxon): | 2.1 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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