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16141-40-5 | 2,5-Pyrrolidinedione, 1-(3-methoxyphenyl)-
CAS No: 16141-40-5 Catalog No: AG001SGT MDL No:
Product Description
Catalog Number:
AG001SGT
Chemical Name:
2,5-Pyrrolidinedione, 1-(3-methoxyphenyl)-
CAS Number:
16141-40-5
Molecular Formula:
C11H11NO3
Molecular Weight:
205.2099
IUPAC Name:
1-(3-methoxyphenyl)pyrrolidine-2,5-dione
InChI:
InChI=1S/C11H11NO3/c1-15-9-4-2-3-8(7-9)12-10(13)5-6-11(12)14/h2-4,7H,5-6H2,1H3
InChI Key:
ZINCJIDEGYWOAD-UHFFFAOYSA-N
SMILES:
COc1cccc(c1)N1C(=O)CCC1=O
Properties
Complexity:
261
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
205.074g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
205.213g/mol
Monoisotopic Mass:
205.074g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
46.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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