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Chemical ID: 4676609
Chemical ID:
4676609
Name [?]:
6-hydroxy-2-[(4-hydroxyphenyl)methylene]benzofuran-3-one
SMILES [?]:
c1cc(ccc1C=C2C(=O)c3ccc(cc3O2)O)O
InChi [?]:
InChI=1/C15H10O4/c16-10-3-1-9(2-4-10)7-14-15(18)12-6-5-11(17)8-13(12)19-14/h1-8,16-17H
InChi Info:
AuxInfo=1/0/N:1,5,2,4,13,12,7,15,6,3,14,11,16,8,9,19,18,10,17/E:(1,2)(3,4)/rA:19nCCCCCCCCCOCCCCCCOOO/rB:s1;d2;s3;d4;d1s5;s6;w7;s8;d9;s9;s11;d12;s13;d14;d11s15;s8s16;s14;s3;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H10O4 |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.89456 |
Area: | 423.695 |
Solvation: | -3.69783 |
Coulombic: | -49.7417 |
Bond Count [?]
All: | 21 |
Single: | 13 |
Double: | 8 |
Rotors: | 1 |
Chiral: | 1 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 254.238 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 2.82 |
LogP (Chemaxon): | 2.76 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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