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Chemical ID: 4513589
Chemical ID:
4513589
Name [?]:
5-hydroxyadamantan-2-one
SMILES [?]:
C1C2CC3CC(C2)(CC1C3=O)O
InChi [?]:
InChI=1/C10H14O2/c11-9-7-1-6-2-8(9)5-10(12,3-6)4-7/h6-8,12H,1-5H2
InChi Info:
AuxInfo=1/0/N:1,3,7,8,5,2,9,4,10,6,11,12/E:(1,2)(4,5)(7,8)/rA:12cCCCCCCCCCCOO/rB:s1;s2;s3;s4;s5;s2s6;s6;s1s8;s4s9;d10;s6;/rC:;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H14O2 |
All Atoms: | 12 |
Heavy Atoms: | 12 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 4.81306 |
Area: | 294.237 |
Solvation: | -2.54288 |
Coulombic: | -23.5568 |
Bond Count [?]
All: | 14 |
Single: | 13 |
Double: | 1 |
Rotors: | 0 |
Chiral: | 0 |
Rigid Segments: | 1 |
Chemical Properties
Molecular Weight: | 166.217 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 0.3 |
LogP (Chemaxon): | 1.07 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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