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89733-45-9 | 1H-Pyrrole-2,5-dione, 1-methyl-3-(3,4,5-trimethoxyphenyl)-
CAS No: 89733-45-9 Catalog No: AG0041WR MDL No:
Product Description
Catalog Number:
AG0041WR
Chemical Name:
1H-Pyrrole-2,5-dione, 1-methyl-3-(3,4,5-trimethoxyphenyl)-
CAS Number:
89733-45-9
Molecular Formula:
C14H15NO5
Molecular Weight:
277.2726
IUPAC Name:
1-methyl-3-(3,4,5-trimethoxyphenyl)pyrrole-2,5-dione
InChI:
InChI=1S/C14H15NO5/c1-15-12(16)7-9(14(15)17)8-5-10(18-2)13(20-4)11(6-8)19-3/h5-7H,1-4H3
InChI Key:
QFQKXHJWMIDGBS-UHFFFAOYSA-N
SMILES:
COc1cc(cc(c1OC)OC)C1=CC(=O)N(C1=O)C
Properties
Complexity:
419
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
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:
4
Topological Polar Surface Area:
65.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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