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Chemical ID: 4253739
Chemical ID:
4253739
Name [?]:
1-(4-propylphenyl)propan-1-one
SMILES [?]:
CCCc1ccc(cc1)C(=O)CC
InChi [?]:
InChI=1/C12H16O/c1-3-5-10-6-8-11(9-7-10)12(13)4-2/h6-9H,3-5H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,13,2,12,3,5,9,6,8,4,7,10,11/E:(6,7)(8,9)/rA:13nCCCCCCCCCCOCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;d10;s10;s12;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H16O |
All Atoms: | 13 |
Heavy Atoms: | 13 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.78177 |
Area: | 373.931 |
Solvation: | -1.56649 |
Coulombic: | -9.92447 |
Bond Count [?]
All: | 13 |
Single: | 9 |
Double: | 4 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 176.255 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 3.59 |
LogP (Chemaxon): | 3.24 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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