Chemical ID: 6914386

Cc1c(c2c(cn1)COC2=O)O
Chemical ID:
6914386
Name [?]:
2-hydroxy-3-methyl-8-oxa-4-azabicyclo[4.3.0]nona-1,3,5-trien-9-one
SMILES [?]:
Cc1c(c2c(cn1)COC2=O)O
InChi [?]:
InChI=1/C8H7NO3/c1-4-7(10)6-5(2-9-4)3-12-8(6)11/h2,10H,3H2,1H3
InChi Info:
AuxInfo=1/0/N:1,6,8,2,5,4,3,10,7,12,11,9/rA:12nCCCCCCNCOCOO/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;s4s9;d10;s3;/rC:;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C8H7NO3
All Atoms:19
Heavy Atoms:12
Chiral Atoms:0
ZAP Information [?]
Total:3.96738
Area:305.365
Solvation:-3.66674
Coulombic:-37.954
Bond Count [?]
All:13
Single:9
Double:4
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:165.146
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:0.3
LogP (Chemaxon):0.55

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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