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Chemical ID: 3969751
Chemical ID:
3969751
Name [?]:
4-phenoxyphenol
SMILES [?]:
c1ccc(cc1)Oc2ccc(cc2)O
InChi [?]:
InChI=1/C12H10O2/c13-10-6-8-12(9-7-10)14-11-4-2-1-3-5-11/h1-9,13H
InChi Info:
AuxInfo=1/0/N:1,2,6,3,5,10,12,9,13,11,4,8,14,7/E:(2,3)(4,5)(6,7)(8,9)/rA:14nCCCCCCOCCCCCCO/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s10;d11;d8s12;s11;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H10O2 |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.49027 |
Area: | 352.478 |
Solvation: | -2.32168 |
Coulombic: | -25.4713 |
Bond Count [?]
All: | 15 |
Single: | 9 |
Double: | 6 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 186.207 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 3.1 |
LogP (Chemaxon): | 3.19 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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Experimental Annotations
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Descriptor Annotations
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Chemical Mix | Source | External ID | Descriptor | Value |
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