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174874-82-9 | 2,5-Pyrrolidinedione, 3-(acetyloxy)-1-[(4-methoxyphenyl)methyl]-, (3S)-
CAS No: 174874-82-9 Catalog No: AG001ZZW MDL No:
Product Description
Catalog Number:
AG001ZZW
Chemical Name:
2,5-Pyrrolidinedione, 3-(acetyloxy)-1-[(4-methoxyphenyl)methyl]-, (3S)-
CAS Number:
174874-82-9
Molecular Formula:
C14H15NO5
Molecular Weight:
277.2726
IUPAC Name:
[(3S)-1-[(4-methoxyphenyl)methyl]-2,5-dioxopyrrolidin-3-yl] acetate
InChI:
InChI=1S/C14H15NO5/c1-9(16)20-12-7-13(17)15(14(12)18)8-10-3-5-11(19-2)6-4-10/h3-6,12H,7-8H2,1-2H3/t12-/m0/s1
InChI Key:
NZXHZPSWFAMECW-LBPRGKRZSA-N
SMILES:
COc1ccc(cc1)CN1C(=O)C[C@@H](C1=O)OC(=O)C
Properties
Complexity:
400
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
277.095g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
277.276g/mol
Monoisotopic Mass:
277.095g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
72.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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