Chemical ID: 4558127

c1c[nH]c(=O)c2c1occ2
Chemical ID:
4558127
Name [?]:
7-oxa-3-azabicyclo[4.3.0]nona-4,8,10-trien-2-one
SMILES [?]:
c1c[nH]c(=O)c2c1occ2
InChi [?]:
InChI=1/C7H5NO2/c9-7-5-2-4-10-6(5)1-3-8-7/h1-4H,(H,8,9)
InChi Info:
AuxInfo=1/1/N:1,10,2,9,6,7,4,3,5,8/rA:10nCCNCOCCOCC/rB:d1;s2;s3;d4;s4;s1d6;s7;s8;s6d9;/rC:;;;;;;;;;;

Chemical Details

Atom Count
Formula:C7H5NO2
All Atoms:10
Heavy Atoms:10
Chiral Atoms:0
ZAP Information [?]
Total:4.5669
Area:272.198
Solvation:-2.23806
Coulombic:-27.3056
Bond Count [?]
All:11
Single:7
Double:4
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:135.12
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:0.17
LogP (Chemaxon):1.12

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