Chemical ID: 4954960

COc1cc(cc(c1OC)OC)C=C2CCOC2=O
Chemical ID:
4954960
Name [?]:
3-[(3,4,5-trimethoxyphenyl)methylene]tetrahydrofuran-2-one
SMILES [?]:
COc1cc(cc(c1OC)OC)C=C2CCOC2=O
InChi [?]:
InChI=1/C14H16O5/c1-16-11-7-9(6-10-4-5-19-14(10)15)8-12(17-2)13(11)18-3/h6-8H,4-5H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,12,10,15,16,13,4,6,5,14,3,7,8,18,19,2,11,9,17/E:(1,2)(7,8)(11,12)(16,17)/rA:19nCOCCCCCCOCOCCCCCOCO/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s7;s11;s5;w13;s14;s15;s16;s14s17;d18;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H16O5
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:3.65512
Area:440.994
Solvation:-7.36974
Coulombic:-39.3067
Bond Count [?]
All:20
Single:15
Double:5
Rotors:4
Chiral:1
Rigid Segments:5
Chemical Properties
Molecular Weight:264.274
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:1.34
LogP (Chemaxon):1.22

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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