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88216-98-2 | 2,5-Pyrrolidinedione, 1-heptyl-
CAS No: 88216-98-2 Catalog No: AG004DHG MDL No:
Product Description
Catalog Number:
AG004DHG
Chemical Name:
2,5-Pyrrolidinedione, 1-heptyl-
CAS Number:
88216-98-2
Molecular Formula:
C11H19NO2
Molecular Weight:
197.2741
IUPAC Name:
1-heptylpyrrolidine-2,5-dione
InChI:
InChI=1S/C11H19NO2/c1-2-3-4-5-6-9-12-10(13)7-8-11(12)14/h2-9H2,1H3
InChI Key:
SGTQNQZBXYZCPZ-UHFFFAOYSA-N
SMILES:
CCCCCCCN1C(=O)CCC1=O
Properties
Complexity:
197
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
197.142g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
197.278g/mol
Monoisotopic Mass:
197.142g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
37.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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