Compound C21H31N3O9

2-[4-[3-(4-hydroxy-3,5-dimethoxyphenyl)propanoyl]piperazin-1-yl]-N,N-dimethylacetamide;oxalic acid

CAS: 58493-19-9

Molecular Formula	`C21H31N3O9`
Molecular Weight	469.5 g/mol
Topological Polar Surface Area	157.0 A2
Hydrogen Bond Donors	3
Hydrogen Bond Acceptors	10
Rotatable Bonds	8
Exact Mass	469.20602
Heavy Atoms	33
Complexity	551.0

Chemical Identifiers

CAS Number	58493-19-9
SMILES	`CN(C)C(=O)CN1CCN(CC1)C(=O)CCC2=CC(=C(C(=C2)OC)O)OC.C(=O)(C(=O)O)O`
InChIKey	`XPBWPIZEVBJWJZ-UHFFFAOYSA-N`

📖 Product Overview

Compound C21H31N3O9 (CAS: 58493-19-9) is a chemical compound with molecular formula C21H31N3O9 and molecular weight 469.5 g/mol. Its IUPAC systematic name is 2-[4-[3-(4-hydroxy-3,5-dimethoxyphenyl)propanoyl]piperazin-1-yl]-N,N-dimethylacetamide;oxalic acid. Topological Polar Surface Area 157.0 A2 Hydrogen Bond Donors 3 Hydrogen Bond Acceptors 10 Rotatable Bonds 8 Exact Mass 469.20602 Heavy Atoms 33 Complexity 551.0 InChI Key: XPBWPIZEVBJWJZ-UHFFFAOYSA-N. SMILES: CN(C)C(=O)CN1CCN(CC1)C(=O)CCC2=CC(=C(C(=C2)OC)O)OC.C(=O)(C(=O)O)O.

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