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Chemical ID: 6154700
Chemical ID:
6154700
Name [?]:
6-hydroxy-2-(1-naphthylmethylene)benzofuran-3-one
SMILES [?]:
c1ccc2c(c1)cccc2C=C3C(=O)c4ccc(cc4O3)O
InChi [?]:
InChI=1/C19H12O3/c20-14-8-9-16-17(11-14)22-18(19(16)21)10-13-6-3-5-12-4-1-2-7-15(12)13/h1-11,20H
InChi Info:
AuxInfo=1/0/N:1,2,8,6,7,9,3,17,16,11,19,5,10,18,4,15,20,12,13,22,14,21/rA:22nCCCCCCCCCCCCCOCCCCCCOO/rB:s1;d2;s3;s4;d1s5;d5;s7;d8;d4s9;s10;w11;s12;d13;s13;s15;d16;s17;d18;d15s19;s12s20;s18;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H12O3 |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.5287 |
Area: | 464.248 |
Solvation: | -3.07749 |
Coulombic: | -35.3919 |
Bond Count [?]
All: | 25 |
Single: | 15 |
Double: | 10 |
Rotors: | 1 |
Chiral: | 1 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 288.297 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.49 |
LogP (Chemaxon): | 4.05 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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