Chemical ID: 4664076

COC(=O)C1COc2ccccc2O1
Chemical ID:
4664076
Name [?]:
methyl 7,10-dioxabicyclo[4.4.0]deca-2,4,11-triene-8-carboxylate
SMILES [?]:
COC(=O)C1COc2ccccc2O1
InChi [?]:
InChI=1/C10H10O4/c1-12-10(11)9-6-13-7-4-2-3-5-8(7)14-9/h2-5,9H,6H2,1H3
InChi Info:
AuxInfo=1/0/N:1,10,11,9,12,6,8,13,5,3,4,2,7,14/rA:14cCOCOCCOCCCCCCO/rB:s1;s2;d3;s3;s5;s6;s7;s8;d9;s10;d11;d8s12;s5s13;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H10O4
All Atoms:14
Heavy Atoms:14
Chiral Atoms:1
ZAP Information [?]
Total:5.72292
Area:352.434
Solvation:-3.08792
Coulombic:-37.0519
Bond Count [?]
All:15
Single:11
Double:4
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:194.184
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:1.45
LogP (Chemaxon):1.13

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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