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Chemical ID: 6659287
Chemical ID:
6659287
Name [?]:
methyl 1-hydroxycyclohexane-1-carboxylate
SMILES [?]:
COC(=O)C1(CCCCC1)O
InChi [?]:
InChI=1/C8H14O3/c1-11-7(9)8(10)5-3-2-4-6-8/h10H,2-6H2,1H3
InChi Info:
AuxInfo=1/0/N:1,8,7,9,6,10,3,5,4,11,2/E:(3,4)(5,6)/rA:11nCOCOCCCCCCO/rB:s1;s2;d3;s3;s5;s6;s7;s8;s5s9;s5;/rC:;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C8H14O3 |
All Atoms: | 11 |
Heavy Atoms: | 11 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 5.84211 |
Area: | 312.954 |
Solvation: | -1.98174 |
Coulombic: | -37.6938 |
Bond Count [?]
All: | 11 |
Single: | 10 |
Double: | 1 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 158.195 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 0.79 |
LogP (Chemaxon): | 0.88 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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