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Chemical ID: 4664076
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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