Chemical ID: 4266570

CC(=O)CC(c1ccc(cc1)O)c2c(c3ccccc3oc2=O)[O-]
Chemical ID:
4266570
Name [?]:
3-[1-(4-hydroxyphenyl)-3-oxo-butyl]-2-oxo-chromen-4-olate
SMILES [?]:
CC(=O)CC(c1ccc(cc1)O)c2c(c3ccccc3oc2=O)[O-]
InChi [?]:
InChI=1/C19H16O5/c1-11(20)10-15(12-6-8-13(21)9-7-12)17-18(22)14-4-2-3-5-16(14)24-19(17)23/h2-9,15,21-22H,10H2,1H3/p-1
InChi Info:
AuxInfo=1/1/N:1,17,18,16,19,7,11,8,10,4,2,6,9,15,5,20,13,14,22,3,12,24,23,21/E:(6,7)(8,9)/rA:24cCCOCCCCCCCCOCCCCCCCCOCOO-/rB:s1;d2;s2;s4;s5;s6;d7;s8;d9;d6s10;s9;s5;d13;s14;s15;d16;s17;d18;d15s19;s20;s13s21;d22;s14;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H15O5-
All Atoms:24
Heavy Atoms:24
Chiral Atoms:1
ZAP Information [?]
Total:-31.6607
Area:491.08
Solvation:-43.9377
Coulombic:-29.1433
Bond Count [?]
All:26
Single:17
Double:9
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:323.319
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:2.56
LogP (Chemaxon):4.32

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Descriptor Annotations

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