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Chemical ID: 5002292
Chemical ID:
5002292
Name [?]:
3-phenylpentan-2-one
SMILES [?]:
CCC(c1ccccc1)C(=O)C
InChi [?]:
InChI=1/C11H14O/c1-3-11(9(2)12)10-7-5-4-6-8-10/h4-8,11H,3H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,12,2,7,6,8,5,9,10,4,3,11/E:(5,6)(7,8)/rA:12cCCCCCCCCCCOC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s3;d10;s10;/rC:;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H14O |
All Atoms: | 12 |
Heavy Atoms: | 12 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 6.40552 |
Area: | 335.043 |
Solvation: | -1.97054 |
Coulombic: | -8.70744 |
Bond Count [?]
All: | 12 |
Single: | 8 |
Double: | 4 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 162.228 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 2.5 |
LogP (Chemaxon): | 3.18 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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