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Chemical ID: 6048044
Chemical ID:
6048044
Name [?]:
9-tert-butoxycarbonylaminononanoic acid
SMILES [?]:
CC(C)(C)OC(=O)NCCCCCCCCC(=O)O
InChi [?]:
InChI=1/C14H27NO4/c1-14(2,3)19-13(18)15-11-9-7-5-4-6-8-10-12(16)17/h4-11H2,1-3H3,(H,15,18)(H,16,17)
InChi Info:
AuxInfo=1/1/N:1,3,4,13,12,14,11,15,10,16,9,17,6,2,8,18,19,7,5/E:(1,2,3)(16,17)/rA:19nCCCCOCONCCCCCCCCCOO/rB:s1;s2;s2;s2;s5;d6;s6;s8;s9;s10;s11;s12;s13;s14;s15;s16;d17;s17;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H27NO4 |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.8463 |
Area: | 538.307 |
Solvation: | -2.61141 |
Coulombic: | -60.6684 |
Bond Count [?]
All: | 18 |
Single: | 16 |
Double: | 2 |
Rotors: | 12 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 273.369 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 3.5 |
LogP (Chemaxon): | 2.63 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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