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Chemical ID: 5575872
Chemical ID:
5575872
Name [?]:
2,4-dimethyl-6-phenyl-6H-pyran
SMILES [?]:
CC1=CC(OC(=C1)C)c2ccccc2
InChi [?]:
InChI=1/C13H14O/c1-10-8-11(2)14-13(9-10)12-6-4-3-5-7-12/h3-9,13H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,8,12,11,13,10,14,7,3,2,6,9,4,5/E:(4,5)(6,7)/rA:14cCCCCOCCCCCCCCC/rB:s1;d2;s3;s4;s5;s2d6;s6;s4;s9;d10;s11;d12;d9s13;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H14O |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 7.45918 |
Area: | 368.872 |
Solvation: | -1.76261 |
Coulombic: | -10.1368 |
Bond Count [?]
All: | 15 |
Single: | 10 |
Double: | 5 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 186.25 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 3.04 |
LogP (Chemaxon): | 2.32 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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