Chemical ID: 5002292

CCC(c1ccccc1)C(=O)C
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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