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102506-49-0 | 1H-Pyrrole-2,5-dione, 1-(3-buten-1-yl)-
CAS No: 102506-49-0 Catalog No: AG0007M8 MDL No:
Product Description
Catalog Number:
AG0007M8
Chemical Name:
1H-Pyrrole-2,5-dione, 1-(3-buten-1-yl)-
CAS Number:
102506-49-0
Molecular Formula:
C8H9NO2
Molecular Weight:
151.1626
IUPAC Name:
1-but-3-enylpyrrole-2,5-dione
InChI:
InChI=1S/C8H9NO2/c1-2-3-6-9-7(10)4-5-8(9)11/h2,4-5H,1,3,6H2
InChI Key:
XUPAZEKCGPMHSZ-UHFFFAOYSA-N
SMILES:
C=CCCN1C(=O)C=CC1=O
Properties
Complexity:
212
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
151.063g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
151.165g/mol
Monoisotopic Mass:
151.063g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
37.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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