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Chemical ID: 5789500
Chemical ID:
5789500
Name [?]:
2-(2-hydroxyphenyl)chroman-4-one
SMILES [?]:
c1ccc(c(c1)C2CC(=O)c3ccccc3O2)O
InChi [?]:
InChI=1/C15H12O3/c16-12-7-3-1-5-10(12)15-9-13(17)11-6-2-4-8-14(11)18-15/h1-8,15-16H,9H2
InChi Info:
AuxInfo=1/0/N:1,13,2,14,6,12,3,15,8,5,11,4,9,16,7,18,10,17/rA:18cCCCCCCCCCOCCCCCCOO/rB:s1;d2;s3;d4;d1s5;s5;s7;s8;d9;s9;s11;d12;s13;d14;d11s15;s7s16;s4;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H12O3 |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 7.39242 |
Area: | 409.386 |
Solvation: | -2.84222 |
Coulombic: | -34.0628 |
Bond Count [?]
All: | 20 |
Single: | 13 |
Double: | 7 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 240.254 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 2.8 |
LogP (Chemaxon): | 2.56 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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