AG000T7H

1267618-58-5 | 2,5-Pyrrolidinedione, 3-[(3-methoxyphenyl)methyl]-

AG000T7H

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CAS Number	1267618-58-5
Catalog Number	AG000T7H(AGN-PC-0FSFP9)
Chemical Name	2,5-Pyrrolidinedione, 3-[(3-methoxyphenyl)methyl]-
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
MDL Number	MFCD19370668
Molecular Formula	C12H13NO3
Molecular Weight	219.2365
SMILES	COC1=CC(CC2CC(=O)NC2=O)=CC=C1
Synonyms	3-(3-Methoxybenzyl)pyrrolidine-2,5-dione, 1267618-58-5, CTK8E1764, KS-00000E0J, 5639AJ, MFCD19370668, AKOS013759090, TRA0064065, AS-31998, SY021526, BC4587627, TC-307194, Z-4622, MFCD19370668 (95+%), 2,5-Pyrrolidinedione, 3-[(3-methoxyphenyl)methyl]-, C12H13NO3, 38980-96-0,

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

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H317
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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