Chemical ID: 4561056

COc1ccc(c2c1OCCO2)C=O
Chemical ID:
4561056
Name [?]:
7-methoxy-2,5-dioxabicyclo[4.4.0]deca-6,8,10-triene-10-carbaldehyde
SMILES [?]:
COc1ccc(c2c1OCCO2)C=O
InChi [?]:
InChI=1/C10H10O4/c1-12-8-3-2-7(6-11)9-10(8)14-5-4-13-9/h2-3,6H,4-5H2,1H3
InChi Info:
AuxInfo=1/0/N:1,5,4,11,10,13,6,3,7,8,14,2,12,9/rA:14nCOCCCCCCOCCOCO/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s10;s7s11;s6;d13;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H10O4
All Atoms:14
Heavy Atoms:14
Chiral Atoms:0
ZAP Information [?]
Total:3.83827
Area:346.097
Solvation:-4.81416
Coulombic:-30.4155
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:1.25
LogP (Chemaxon):0.79

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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