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Chemical ID: 5156287
Chemical ID:
5156287
Name [?]:
3-methyl-3-phenyl-butan-2-one
SMILES [?]:
CC(=O)C(C)(C)c1ccccc1
InChi [?]:
InChI=1/C11H14O/c1-9(12)11(2,3)10-7-5-4-6-8-10/h4-8H,1-3H3
InChi Info:
AuxInfo=1/0/N:1,5,6,10,9,11,8,12,2,7,4,3/E:(2,3)(5,6)(7,8)/rA:12nCCOCCCCCCCCC/rB:s1;d2;s2;s4;s4;s4;s7;d8;s9;d10;d7s11;/rC:;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H14O |
All Atoms: | 12 |
Heavy Atoms: | 12 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.18236 |
Area: | 329.09 |
Solvation: | -2.04489 |
Coulombic: | -8.75384 |
Bond Count [?]
All: | 12 |
Single: | 8 |
Double: | 4 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 162.228 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 2.64 |
LogP (Chemaxon): | 3.45 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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