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Chemical ID: 6642905
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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