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918403-72-2

918403-72-2 | 3-Buten-1-one, 1-[2-(1-methylethenyl)-1-cyclopenten-1-yl]-2-phenyl-

CAS No: 918403-72-2 Catalog No: AG006G12 MDL No:

Product Description

Catalog Number:
AG006G12
Chemical Name:
3-Buten-1-one, 1-[2-(1-methylethenyl)-1-cyclopenten-1-yl]-2-phenyl-
CAS Number:
918403-72-2
Molecular Formula:
C18H20O
Molecular Weight:
252.3508
IUPAC Name:
2-phenyl-1-(2-prop-1-en-2-ylcyclopenten-1-yl)but-3-en-1-one
InChI:
InChI=1S/C18H20O/c1-4-15(14-9-6-5-7-10-14)18(19)17-12-8-11-16(17)13(2)3/h4-7,9-10,15H,1-2,8,11-12H2,3H3
InChI Key:
GWHGKSFAWHZZOQ-UHFFFAOYSA-N
SMILES:
C=CC(C(=O)C1=C(CCC1)C(=C)C)c1ccccc1

Properties

Complexity:
407  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.151g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
252.357g/mol
Monoisotopic Mass:
252.151g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7  

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