Chemical ID: 6847097

Cc1cc(c2c(c1)c(=O)c(c(o2)c3ccc(c(c3)OC)OC)OC(C)C(=O)OC)C
Chemical ID:
6847097
Name [?]:
methyl 2-[2-(3,4-dimethoxyphenyl)-6,8-dimethyl-4-oxo-chromen-3-yl]oxypropanoate
SMILES [?]:
Cc1cc(c2c(c1)c(=O)c(c(o2)c3ccc(c(c3)OC)OC)OC(C)C(=O)OC)C
InChi [?]:
InChI=1/C23H24O7/c1-12-9-13(2)20-16(10-12)19(24)22(29-14(3)23(25)28-6)21(30-20)15-7-8-17(26-4)18(11-15)27-5/h7-11,14H,1-6H3
InChi Info:
AuxInfo=1/0/N:1,30,25,22,20,29,14,15,3,7,18,2,4,24,13,6,16,17,8,5,11,10,26,9,27,21,19,28,23,12/rA:30cCCCCCCCCOCCOCCCCCCOCOCOCCCOOCC/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s8;d10;s5s11;s11;s13;d14;s15;d16;d13s17;s17;s19;s16;s21;s10;s23;s24;s24;d26;s26;s28;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H24O7
All Atoms:54
Heavy Atoms:30
Chiral Atoms:1
ZAP Information [?]
Total:8.1844
Area:608.368
Solvation:-7.02481
Coulombic:-59.3223
Bond Count [?]
All:32
Single:23
Double:9
Rotors:7
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:412.432
H-Bond Donors:0
H-Bond Acceptors:6
XLogP:4.33
LogP (Chemaxon):3.91

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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