Chemical ID: 5001038

CC(C)OC(=O)NCCO
Chemical ID:
5001038
Name [?]:
isopropyl 2-hydroxyethylaminoformate
SMILES [?]:
CC(C)OC(=O)NCCO
InChi [?]:
InChI=1/C6H13NO3/c1-5(2)10-6(9)7-3-4-8/h5,8H,3-4H2,1-2H3,(H,7,9)
InChi Info:
AuxInfo=1/1/N:1,3,8,9,2,5,7,10,6,4/E:(1,2)/rA:10nCCCOCONCCO/rB:s1;s2;s2;s4;d5;s5;s7;s8;s9;/rC:;;;;;;;;;;

Chemical Details

Atom Count
Formula:C6H13NO3
All Atoms:10
Heavy Atoms:10
Chiral Atoms:0
ZAP Information [?]
Total:5.50602
Area:326.307
Solvation:-2.65166
Coulombic:-49.7277
Bond Count [?]
All:9
Single:8
Double:1
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:147.172
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:0.06
LogP (Chemaxon):0.15

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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