methyl 1,3-benzodioxole-5-carboxylate

CAS: 326-56-7

Molecular Formula	`C9H8O4`
Molecular Weight	180.16 g/mol
LogP	1.4
Topological Polar Surface Area	44.8 A2
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	4
Rotatable Bonds	2
Exact Mass	180.04225
Heavy Atoms	13
Complexity	204.0

Chemical Identifiers

CAS Number	326-56-7
SMILES	`COC(=O)C1=CC2=C(C=C1)OCO2`
InChIKey	`QCHGUEIECOASJU-UHFFFAOYSA-N`

📖 Product Overview

methyl 1,3-benzodioxole-5-carboxylate (CAS: 326-56-7) is a chemical compound with molecular formula C9H8O4 and molecular weight 180.16 g/mol. Its IUPAC systematic name is methyl 1,3-benzodioxole-5-carboxylate. LogP 1.4 Topological Polar Surface Area 44.8 A2 Hydrogen Bond Donors 0 Hydrogen Bond Acceptors 4 Rotatable Bonds 2 Exact Mass 180.04225 Heavy Atoms 13 Complexity 204.0 InChI Key: QCHGUEIECOASJU-UHFFFAOYSA-N. SMILES: COC(=O)C1=CC2=C(C=C1)OCO2.

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