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Chemical ID: 7346430
Chemical ID:
7346430
Name [?]:
6-hydroxy-2-[(3-hydroxyphenyl)methylene]benzofuran-3-one
SMILES [?]:
c1cc(cc(c1)O)C=C2C(=O)c3ccc(cc3O2)O
InChi [?]:
InChI=1/C15H10O4/c16-10-3-1-2-9(6-10)7-14-15(18)12-5-4-11(17)8-13(12)19-14/h1-8,16-17H
InChi Info:
AuxInfo=1/0/N:1,2,6,14,13,4,8,16,3,5,15,12,17,9,10,7,19,11,18/rA:19nCCCCCCOCCCOCCCCCCOO/rB:s1;d2;s3;d4;d1s5;s5;s3;w8;s9;d10;s10;s12;d13;s14;d15;d12s16;s9s17;s15;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H10O4 |
All Atoms: | 29 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.2643 |
Area: | 435.146 |
Solvation: | -3.61434 |
Coulombic: | -49.9698 |
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: | 2.4 |
LogP (Chemaxon): | 2.76 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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