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Chemical ID: 6687878
Chemical ID:
6687878
Name [?]:
tert-butyl [1-(benzyloxymethyl)-2-hydroxy-ethyl]aminoformate
SMILES [?]:
CC(C)(C)OC(=O)NC(CO)COCc1ccccc1
InChi [?]:
InChI=1/C15H23NO4/c1-15(2,3)20-14(18)16-13(9-17)11-19-10-12-7-5-4-6-8-12/h4-8,13,17H,9-11H2,1-3H3,(H,16,18)
InChi Info:
AuxInfo=1/1/N:1,3,4,18,17,19,16,20,10,14,12,15,9,6,2,8,11,7,13,5/E:(1,2,3)(5,6)(7,8)/rA:20cCCCCOCONCCOCOCCCCCCC/rB:s1;s2;s2;s2;s5;d6;s6;s8;s9;s10;s9;s12;s13;s14;s15;d16;s17;d18;d15s19;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H23NO4 |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 7.56454 |
Area: | 500.998 |
Solvation: | -4.9604 |
Coulombic: | -57.7544 |
Bond Count [?]
All: | 20 |
Single: | 16 |
Double: | 4 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 281.347 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 2.03 |
LogP (Chemaxon): | 1.91 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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