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Chemical ID: 6918073
Chemical ID:
6918073
Name [?]:
(4-hydroxy-5-methyl-tetrahydrofuran-2-yl)methyl-trimethyl-ammonium
SMILES [?]:
CC1C(CC(O1)C[N+](C)(C)C)O
InChi [?]:
InChI=1/C9H20NO2/c1-7-9(11)5-8(12-7)6-10(2,3)4/h7-9,11H,5-6H2,1-4H3/q+1
InChi Info:
AuxInfo=1/0/N:1,9,10,11,4,7,2,5,3,8,12,6/E:(2,3,4)/CRV:10+1/rA:12cCCCCCOCN+CCCO/rB:s1;s2;s3;s4;s2s5;s5;s7;s8;s8;s8;s3;/rC:;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C9H20NO2+ |
All Atoms: | 32 |
Heavy Atoms: | 12 |
Chiral Atoms: | 3 |
ZAP Information [?]
Total: | -20.9567 |
Area: | 343.095 |
Solvation: | -29.5341 |
Coulombic: | -1.87374 |
Bond Count [?]
All: | 12 |
Single: | 12 |
Double: | 0 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 174.261 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | -1.43 |
LogP (Chemaxon): | -4.6 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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