Chemical ID: 6494144

CC(=O)C=Cc1ccccc1
Chemical ID:
6494144
Name [?]:
4-phenylbut-3-en-2-one
SMILES [?]:
CC(=O)C=Cc1ccccc1
InChi [?]:
InChI=1/C10H10O/c1-9(11)7-8-10-5-3-2-4-6-10/h2-8H,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;w4;s5;s6;d7;s8;d9;d6s10;/rC:;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H10O
All Atoms:11
Heavy Atoms:11
Chiral Atoms:0
ZAP Information [?]
Total:5.55701
Area:308.101
Solvation:-2.14551
Coulombic:-8.35311
Bond Count [?]
All:11
Single:6
Double:5
Rotors:2
Chiral:1
Rigid Segments:3
Chemical Properties
Molecular Weight:146.186
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:2.13
LogP (Chemaxon):2.7

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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