Chemical ID: 6529678

CCC(=O)Cc1ccccc1
Chemical ID:
6529678
Name [?]:
1-phenylbutan-2-one
SMILES [?]:
CCC(=O)Cc1ccccc1
InChi [?]:
InChI=1/C10H12O/c1-2-10(11)8-9-6-4-3-5-7-9/h3-7H,2,8H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,9,8,10,7,11,5,6,3,4/E:(4,5)(6,7)/rA:11nCCCOCCCCCCC/rB:s1;s2;d3;s3;s5;s6;d7;s8;d9;d6s10;/rC:;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H12O
All Atoms:11
Heavy Atoms:11
Chiral Atoms:0
ZAP Information [?]
Total:5.87051
Area:323.625
Solvation:-2.22012
Coulombic:-7.96709
Bond Count [?]
All:11
Single:7
Double:4
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:148.202
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:1.97
LogP (Chemaxon):2.85

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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