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Chemical ID: 5115034
Chemical ID:
5115034
Name [?]:
[2-(hydroxymethyl)-2-methyl-pentyl] aminoformate
SMILES [?]:
CCCC(C)(CO)COC(=O)N
InChi [?]:
InChI=1/C8H17NO3/c1-3-4-8(2,5-10)6-12-7(9)11/h10H,3-6H2,1-2H3,(H2,9,11)
InChi Info:
AuxInfo=1/1/N:1,5,2,3,6,8,10,4,12,7,11,9/rA:12cCCCCCCOCOCON/rB:s1;s2;s3;s4;s4;s6;s4;s8;s9;d10;s10;/rC:;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C8H17NO3 |
All Atoms: | 12 |
Heavy Atoms: | 12 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 6.66792 |
Area: | 360.941 |
Solvation: | -2.35561 |
Coulombic: | -55.1167 |
Bond Count [?]
All: | 11 |
Single: | 10 |
Double: | 1 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 175.226 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 4 |
XLogP: | 0.84 |
LogP (Chemaxon): | 1.1 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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