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102331-61-3 | 1H-Pyrrole-2,5-dione, 1-(1-methylpropyl)-
CAS No: 102331-61-3 Catalog No: AG00077W MDL No:MFCD11111132
Product Description
Catalog Number:
AG00077W
Chemical Name:
1H-Pyrrole-2,5-dione, 1-(1-methylpropyl)-
CAS Number:
102331-61-3
Molecular Formula:
C8H11NO2
Molecular Weight:
153.1784
MDL Number:
MFCD11111132
IUPAC Name:
1-butan-2-ylpyrrole-2,5-dione
InChI:
InChI=1S/C8H11NO2/c1-3-6(2)9-7(10)4-5-8(9)11/h4-6H,3H2,1-2H3
InChI Key:
MWASMIDVYJKRKQ-UHFFFAOYSA-N
SMILES:
CCC(N1C(=O)C=CC1=O)C
Properties
Complexity:
202
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
153.079g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
153.181g/mol
Monoisotopic Mass:
153.079g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
37.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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