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Chemical ID: 6691467
Chemical ID:
6691467
Name [?]:
5-hydroxy-7-methoxy-2-phenyl-chroman-4-one
SMILES [?]:
COc1cc(c2c(c1)OC(CC2=O)c3ccccc3)O
InChi [?]:
InChI=1/C16H14O4/c1-19-11-7-12(17)16-13(18)9-14(20-15(16)8-11)10-5-3-2-4-6-10/h2-8,14,17H,9H2,1H3
InChi Info:
AuxInfo=1/0/N:1,17,16,18,15,19,4,8,11,14,3,5,12,10,7,6,20,13,2,9/E:(3,4)(5,6)/rA:20cCOCCCCCCOCCCOCCCCCCO/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;s10;s6s11;d12;s10;s14;d15;s16;d17;d14s18;s5;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H14O4 |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 6.32676 |
Area: | 445.019 |
Solvation: | -4.79871 |
Coulombic: | -38.5863 |
Bond Count [?]
All: | 22 |
Single: | 15 |
Double: | 7 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 270.28 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 2.72 |
LogP (Chemaxon): | 2.95 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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