Chemical ID: 6423778

COc1cc(cc(c1OC(=O)c2ccc3c(c2)OCO3)C=O)CC=C
Chemical ID:
6423778
Name [?]:
(4-allyl-2-formyl-6-methoxy-phenyl) benzo[1,3]dioxole-5-carboxylate
SMILES [?]:
COc1cc(cc(c1OC(=O)c2ccc3c(c2)OCO3)C=O)CC=C
InChi [?]:
InChI=1/C19H16O6/c1-3-4-12-7-14(10-20)18(17(8-12)22-2)25-19(21)13-5-6-15-16(9-13)24-11-23-15/h3,5-10H,1,4,11H2,2H3
InChi Info:
AuxInfo=1/0/N:25,1,24,23,13,14,6,4,17,21,19,5,12,7,15,16,3,8,10,22,11,2,20,18,9/rA:25nCOCCCCCCOCOCCCCCCOCOCOCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;d10;s10;s12;d13;s14;d15;d12s16;s16;s18;s15s19;s7;d21;s5;s23;d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H16O6
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:8.34597
Area:555.412
Solvation:-5.53934
Coulombic:-51.8564
Bond Count [?]
All:27
Single:18
Double:9
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:340.327
H-Bond Donors:0
H-Bond Acceptors:6
XLogP:3.92
LogP (Chemaxon):3.43

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