Chemical ID: 5258214

CC(=O)C1=C(C(=O)OC1=C)N
Chemical ID:
5258214
Name [?]:
4-acetyl-3-amino-5-methylene-furan-2-one
SMILES [?]:
CC(=O)C1=C(C(=O)OC1=C)N
InChi [?]:
InChI=1/C7H7NO3/c1-3(9)5-4(2)11-7(10)6(5)8/h2,8H2,1H3
InChi Info:
AuxInfo=1/0/N:1,10,2,9,4,5,6,11,3,7,8/rA:11nCCOCCCOOCCN/rB:s1;d2;s2;d4;s5;d6;s6;s4s8;d9;s5;/rC:;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C7H7NO3
All Atoms:11
Heavy Atoms:11
Chiral Atoms:0
ZAP Information [?]
Total:4.85314
Area:301.092
Solvation:-2.67415
Coulombic:-42.5825
Bond Count [?]
All:11
Single:7
Double:4
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:153.135
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:0.58
LogP (Chemaxon):-0.51

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Descriptor Annotations

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