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Chemical ID: 3965131
Chemical ID:
3965131
Name [?]:
7-hydroxy-2-phenyl-chroman-4-one
SMILES [?]:
c1ccc(cc1)C2CC(=O)c3ccc(cc3O2)O
InChi [?]:
InChI=1/C15H12O3/c16-11-6-7-12-13(17)9-14(18-15(12)8-11)10-4-2-1-3-5-10/h1-8,14,16H,9H2
InChi Info:
AuxInfo=1/0/N:1,2,6,3,5,13,12,15,8,4,14,11,9,7,16,18,10,17/E:(2,3)(4,5)/rA:18cCCCCCCCCCOCCCCCCOO/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s9;s11;d12;s13;d14;d11s15;s7s16;s14;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H12O3 |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 7.15211 |
Area: | 416.582 |
Solvation: | -3.26245 |
Coulombic: | -33.072 |
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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