Chemical ID: 6704853

c1ccc2c(c1)N(CC(=O)O2)CC(=O)[O-]
Chemical ID:
6704853
Name [?]:
2-(3-oxo-2-oxa-5-azabicyclo[4.4.0]deca-7,9,11-trien-5-yl)acetate
SMILES [?]:
c1ccc2c(c1)N(CC(=O)O2)CC(=O)[O-]
InChi [?]:
InChI=1/C10H9NO4/c12-9(13)5-11-6-10(14)15-8-4-2-1-3-7(8)11/h1-4H,5-6H2,(H,12,13)/p-1
InChi Info:
AuxInfo=1/1/N:1,2,6,3,12,8,5,4,13,9,7,14,15,10,11/E:(12,13)/rA:15cCCCCCCNCCOOCCOO-/rB:s1;d2;s3;d4;d1s5;s5;s7;s8;d9;s4s9;s7;s12;d13;s13;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H8NO4-
All Atoms:15
Heavy Atoms:15
Chiral Atoms:1
ZAP Information [?]
Total:-33.7347
Area:356.778
Solvation:-42.6542
Coulombic:-27.4536
Bond Count [?]
All:16
Single:11
Double:5
Rotors:2
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:206.175
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:0.38
LogP (Chemaxon):1.06

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Descriptor Annotations

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