Chemical ID: 4510709

Cc1c(c(=O)oc2c1ccc(c2C)OCc3cc(oc3C)C(=O)O)C
Chemical ID:
4510709
Name [?]:
5-methyl-4-[(3,4,8-trimethyl-2-oxo-chromen-7-yl)oxymethyl]furan-2-carboxylic acid
SMILES [?]:
Cc1c(c(=O)oc2c1ccc(c2C)OCc3cc(oc3C)C(=O)O)C
InChi [?]:
InChI=1/C19H18O6/c1-9-10(2)19(22)25-17-11(3)15(6-5-14(9)17)23-8-13-7-16(18(20)21)24-12(13)4/h5-7H,8H2,1-4H3,(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,25,13,21,9,10,17,15,2,3,12,20,16,8,11,18,7,22,4,23,24,5,14,19,6/E:(20,21)/rA:25nCCCCOOCCCCCCCOCCCCOCCCOOC/rB:s1;d2;s3;d4;s4;s6;s2s7;d8;s9;d10;d7s11;s12;s11;s14;s15;s16;d17;s18;d16s19;s20;s18;d22;s22;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H18O6
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:8.91305
Area:549.917
Solvation:-4.83487
Coulombic:-61.3866
Bond Count [?]
All:27
Single:19
Double:8
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:342.343
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:2.59
LogP (Chemaxon):3.52

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Descriptor Annotations

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