Chemical ID: 6529878

CC(=O)CCc1ccccc1
Chemical ID:
6529878
Name [?]:
4-phenylbutan-2-one
SMILES [?]:
CC(=O)CCc1ccccc1
InChi [?]:
InChI=1/C10H12O/c1-9(11)7-8-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3
InChi Info:
AuxInfo=1/0/N:1,9,8,10,7,11,4,5,2,6,3/E:(3,4)(5,6)/rA:11nCCOCCCCCCCC/rB:s1;d2;s2;s4;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:6.35665
Area:330.069
Solvation:-1.89507
Coulombic:-8.07281
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:1.88
LogP (Chemaxon):2.62

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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