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1267618-58-5 | 2,5-Pyrrolidinedione, 3-[(3-methoxyphenyl)methyl]-
CAS No: 1267618-58-5 Catalog No: AG000T7H MDL No:MFCD19370668
Product Description
Catalog Number:
AG000T7H
Chemical Name:
2,5-Pyrrolidinedione, 3-[(3-methoxyphenyl)methyl]-
CAS Number:
1267618-58-5
Molecular Formula:
C12H13NO3
Molecular Weight:
219.2365
MDL Number:
MFCD19370668
IUPAC Name:
3-[(3-methoxyphenyl)methyl]pyrrolidine-2,5-dione
InChI:
InChI=1S/C12H13NO3/c1-16-10-4-2-3-8(6-10)5-9-7-11(14)13-12(9)15/h2-4,6,9H,5,7H2,1H3,(H,13,14,15)
InChI Key:
XWAGEMLECOTHCE-UHFFFAOYSA-N
SMILES:
COc1cccc(c1)CC1CC(=O)NC1=O
Properties
Complexity:
290
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.09g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
219.24g/mol
Monoisotopic Mass:
219.09g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
55.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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