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Chemical ID: 6642599
Chemical ID:
6642599
Name [?]:
N-[2-hydroxy-1-(hydroxymethyl)-1-methyl-ethyl]-2,2-dimethyl-propanamide
SMILES [?]:
CC(C)(C)C(=O)NC(C)(CO)CO
InChi [?]:
InChI=1/C9H19NO3/c1-8(2,3)7(13)10-9(4,5-11)6-12/h11-12H,5-6H2,1-4H3,(H,10,13)
InChi Info:
AuxInfo=1/1/N:1,3,4,9,10,12,5,2,8,7,11,13,6/E:(1,2,3)(5,6)(11,12)/rA:13nCCCCCONCCCOCO/rB:s1;s2;s2;s2;d5;s5;s7;s8;s8;s10;s8;s12;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C9H19NO3 |
All Atoms: | 13 |
Heavy Atoms: | 13 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 5.84676 |
Area: | 359.772 |
Solvation: | -3.14754 |
Coulombic: | -55.0756 |
Bond Count [?]
All: | 12 |
Single: | 11 |
Double: | 1 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 189.252 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 4 |
XLogP: | -0.51 |
LogP (Chemaxon): | 0.33 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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