Chemical ID: 6642905

CCCc1cc2c(cc1OCC(=O)OC)oc(c(c2=O)c3ccc4c(c3)OCO4)C
Chemical ID:
6642905
Name [?]:
methyl 2-(3-benzo[1,3]dioxol-5-yl-2-methyl-4-oxo-6-propyl-chromen-7-yl)oxyacetate
SMILES [?]:
CCCc1cc2c(cc1OCC(=O)OC)oc(c(c2=O)c3ccc4c(c3)OCO4)C
InChi [?]:
InChI=1/C23H22O7/c1-4-5-14-8-16-19(10-18(14)27-11-21(24)26-3)30-13(2)22(23(16)25)15-6-7-17-20(9-15)29-12-28-17/h6-10H,4-5,11-12H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,30,15,2,3,22,23,5,26,8,11,28,17,4,21,6,24,9,7,25,12,18,19,13,20,14,10,29,27,16/rA:30nCCCCCCCCCOCCOOCOCCCOCCCCCCOCOC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;s11;d12;s12;s14;s7;s16;d17;s6s18;d19;s18;s21;d22;s23;d24;d21s25;s25;s27;s24s28;s17;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H22O7
All Atoms:30
Heavy Atoms:30
Chiral Atoms:0
ZAP Information [?]
Total:9.70163
Area:636.431
Solvation:-6.20913
Coulombic:-58.2786
Bond Count [?]
All:33
Single:24
Double:9
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:410.417
H-Bond Donors:0
H-Bond Acceptors:6
XLogP:4.41
LogP (Chemaxon):4.13

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Descriptor Annotations

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