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Chemical ID: 6514170
Chemical ID:
6514170
Name [?]:
tert-butyl (2-hydroxy-1-methyl-ethyl)aminoformate
SMILES [?]:
CC(CO)NC(=O)OC(C)(C)C
InChi [?]:
InChI=1/C8H17NO3/c1-6(5-10)9-7(11)12-8(2,3)4/h6,10H,5H2,1-4H3,(H,9,11)
InChi Info:
AuxInfo=1/1/N:1,10,11,12,3,2,6,9,5,4,7,8/E:(2,3,4)/rA:12cCCCONCOOCCCC/rB:s1;s2;s3;s2;s5;d6;s6;s8;s9;s9;s9;/rC:;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C8H17NO3 |
All Atoms: | 12 |
Heavy Atoms: | 12 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 6.54537 |
Area: | 354.319 |
Solvation: | -2.31259 |
Coulombic: | -50.3903 |
Bond Count [?]
All: | 11 |
Single: | 10 |
Double: | 1 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 175.226 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 0.93 |
LogP (Chemaxon): | 0.64 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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