Chemical ID: 4253739

CCCc1ccc(cc1)C(=O)CC
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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