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Chemical ID: 6692014
Chemical ID:
6692014
Name [?]:
9H-xanthene
SMILES [?]:
c1ccc2c(c1)Cc3ccccc3O2
InChi [?]:
InChI=1/C13H10O/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)14-12/h1-8H,9H2
InChi Info:
AuxInfo=1/0/N:1,10,2,11,6,9,3,12,7,5,8,4,13,14/E:(1,2)(3,4)(5,6)(7,8)(10,11)(12,13)/rA:14nCCCCCCCCCCCCCO/rB:s1;d2;s3;d4;d1s5;s5;s7;s8;d9;s10;d11;d8s12;s4s13;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H10O |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.90424 |
Area: | 336.056 |
Solvation: | -1.49716 |
Coulombic: | -10.0901 |
Bond Count [?]
All: | 16 |
Single: | 10 |
Double: | 6 |
Rotors: | 0 |
Chiral: | 0 |
Rigid Segments: | 1 |
Chemical Properties
Molecular Weight: | 182.218 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 3.24 |
LogP (Chemaxon): | 3.51 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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