Chemical ID: 4689459

Cc1cc2c(cco2)c(=O)o1
Chemical ID:
4689459
Name [?]:
3-methyl-4,9-dioxabicyclo[4.3.0]nona-2,7,10-trien-5-one
SMILES [?]:
Cc1cc2c(cco2)c(=O)o1
InChi [?]:
InChI=1/C8H6O3/c1-5-4-7-6(2-3-10-7)8(9)11-5/h2-4H,1H3
InChi Info:
AuxInfo=1/0/N:1,6,7,3,2,5,4,9,10,8,11/rA:11nCCCCCCCOCOO/rB:s1;d2;s3;d4;s5;d6;s4s7;s5;d9;s2s9;/rC:;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C8H6O3
All Atoms:11
Heavy Atoms:11
Chiral Atoms:0
ZAP Information [?]
Total:4.85726
Area:294.955
Solvation:-2.51661
Coulombic:-24.4166
Bond Count [?]
All:12
Single:8
Double:4
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:150.131
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:0.94
LogP (Chemaxon):1.31

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Descriptor Annotations

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