Chemical ID: 6717862

CC(=O)NC(CC(=O)[O-])c1ccco1
Chemical ID:
6717862
Name [?]:
3-acetamido-3-(2-furyl)propanoate
SMILES [?]:
CC(=O)NC(CC(=O)[O-])c1ccco1
InChi [?]:
InChI=1/C9H11NO4/c1-6(11)10-7(5-9(12)13)8-3-2-4-14-8/h2-4,7H,5H2,1H3,(H,10,11)(H,12,13)/p-1
InChi Info:
AuxInfo=1/1/N:1,12,11,13,6,2,5,10,7,4,3,8,9,14/E:(12,13)/rA:14cCCONCCCOO-CCCCO/rB:s1;d2;s2;s4;s5;s6;d7;s7;s5;d10;s11;d12;s10s13;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H10NO4-
All Atoms:14
Heavy Atoms:14
Chiral Atoms:1
ZAP Information [?]
Total:-36.5021
Area:368.471
Solvation:-45.7139
Coulombic:-23.7291
Bond Count [?]
All:14
Single:10
Double:4
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:196.18
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:-0.72
LogP (Chemaxon):-0.27

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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