Chemical ID: 5757591

COC(=O)c1ccc(=O)oc1
Chemical ID:
5757591
Name [?]:
methyl 6-oxopyran-3-carboxylate
SMILES [?]:
COC(=O)c1ccc(=O)oc1
InChi [?]:
InChI=1/C7H6O4/c1-10-7(9)5-2-3-6(8)11-4-5/h2-4H,1H3
InChi Info:
AuxInfo=1/0/N:1,6,7,11,5,8,3,9,4,2,10/rA:11nCOCOCCCCOOC/rB:s1;s2;d3;s3;s5;d6;s7;d8;s8;d5s10;/rC:;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C7H6O4
All Atoms:11
Heavy Atoms:11
Chiral Atoms:0
ZAP Information [?]
Total:4.87283
Area:310.12
Solvation:-2.88016
Coulombic:-36.6145
Bond Count [?]
All:11
Single:7
Double:4
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:154.12
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:0.27
LogP (Chemaxon):0.27

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue