Chemical ID: 5215054

CC1=CC(=O)C2C(C1=O)O2
Chemical ID:
5215054
Name [?]:
4-methyl-7-oxabicyclo[4.1.0]hept-3-ene-2,5-dione
SMILES [?]:
CC1=CC(=O)C2C(C1=O)O2
InChi [?]:
InChI=1/C7H6O3/c1-3-2-4(8)6-7(10-6)5(3)9/h2,6-7H,1H3
InChi Info:
AuxInfo=1/0/N:1,3,2,4,8,6,7,5,9,10/rA:10cCCCCOCCCOO/rB:s1;d2;s3;d4;s4;s6;s2s7;d8;s6s7;/rC:;;;;;;;;;;

Chemical Details

Atom Count
Formula:C7H6O3
All Atoms:10
Heavy Atoms:10
Chiral Atoms:2
ZAP Information [?]
Total:2.24524
Area:283.066
Solvation:-4.83141
Coulombic:-22.4879
Bond Count [?]
All:11
Single:8
Double:3
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:138.121
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:-0.88
LogP (Chemaxon):1.06

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