methyl 3,4,5-trimethoxy-2-nitrobenzoate

CAS: 5081-42-5

Molecular Formula	`C11H13NO7`
Molecular Weight	271.22 g/mol
LogP	1.5
Topological Polar Surface Area	99.8 A2
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	7
Rotatable Bonds	5
Exact Mass	271.0692
Heavy Atoms	19
Complexity	329.0

Chemical Identifiers

CAS Number	5081-42-5
SMILES	`COC1=C(C(=C(C(=C1)C(=O)OC)[N+](=O)[O-])OC)OC`
InChIKey	`HCEIEWYPDCDNNU-UHFFFAOYSA-N`

📖 Product Overview

methyl 3,4,5-trimethoxy-2-nitrobenzoate (CAS: 5081-42-5) is a chemical compound with molecular formula C11H13NO7 and molecular weight 271.22 g/mol. Its IUPAC systematic name is methyl 3,4,5-trimethoxy-2-nitrobenzoate. LogP 1.5 Topological Polar Surface Area 99.8 A2 Hydrogen Bond Donors 0 Hydrogen Bond Acceptors 7 Rotatable Bonds 5 Exact Mass 271.0692 Heavy Atoms 19 Complexity 329.0 InChI Key: HCEIEWYPDCDNNU-UHFFFAOYSA-N. SMILES: COC1=C(C(=C(C(=C1)C(=O)OC)[N+](=O)[O-])OC)OC.

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