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140481-08-9

140481-08-9 | 1H-Pyrrole-2,5-dione, 1-(1-methyl-3-phenylpropyl)-

CAS No: 140481-08-9 Catalog No: AG001CIV MDL No:

Product Description

Catalog Number:
AG001CIV
Chemical Name:
1H-Pyrrole-2,5-dione, 1-(1-methyl-3-phenylpropyl)-
CAS Number:
140481-08-9
Molecular Formula:
C14H15NO2
Molecular Weight:
229.2744
IUPAC Name:
1-(4-phenylbutan-2-yl)pyrrole-2,5-dione
InChI:
InChI=1S/C14H15NO2/c1-11(15-13(16)9-10-14(15)17)7-8-12-5-3-2-4-6-12/h2-6,9-11H,7-8H2,1H3
InChI Key:
PHJIBZPMSGENPG-UHFFFAOYSA-N
SMILES:
CC(N1C(=O)C=CC1=O)CCc1ccccc1

Properties

Complexity:
311  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.11g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
229.279g/mol
Monoisotopic Mass:
229.11g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
37.4A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  

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