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Chemical ID: 3968004
Chemical ID:
3968004
Name [?]:
2,4-dihydroxy-N-(3-hydroxypropyl)-3,3-dimethyl-butanamide
SMILES [?]:
CC(C)(CO)C(C(=O)NCCCO)O
InChi [?]:
InChI=1/C9H19NO4/c1-9(2,6-12)7(13)8(14)10-4-3-5-11/h7,11-13H,3-6H2,1-2H3,(H,10,14)
InChi Info:
AuxInfo=1/1/N:1,3,11,10,12,4,6,7,2,9,13,5,14,8/E:(1,2)/rA:14cCCCCOCCONCCCOO/rB:s1;s2;s2;s4;s2;s6;d7;s7;s9;s10;s11;s12;s6;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C9H19NO4 |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 5.22459 |
Area: | 394.502 |
Solvation: | -4.63795 |
Coulombic: | -71.3161 |
Bond Count [?]
All: | 13 |
Single: | 12 |
Double: | 1 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 205.251 |
H-Bond Donors: | 4 |
H-Bond Acceptors: | 5 |
XLogP: | -1.23 |
LogP (Chemaxon): | -0.82 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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