2-(7-chloro-2,2-dimethyl-3H-1-benzofuran-5-yl)propanoic acid

CAS: 57899-02-2

Molecular Formula	`C13H15ClO3`
Molecular Weight	254.71 g/mol
LogP	3.2
Topological Polar Surface Area	46.5 A2
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	3
Rotatable Bonds	2
Exact Mass	254.07097
Heavy Atoms	17
Complexity	316.0

Chemical Identifiers

CAS Number	57899-02-2
SMILES	`CC(C1=CC2=C(C(=C1)Cl)OC(C2)(C)C)C(=O)O`
InChIKey	`ZXIRWWZPOMQYML-UHFFFAOYSA-N`

📖 Product Overview

2-(7-chloro-2,2-dimethyl-3H-1-benzofuran-5-yl)propanoic acid (CAS: 57899-02-2) is a chemical compound with molecular formula C13H15ClO3 and molecular weight 254.71 g/mol. Its IUPAC systematic name is 2-(7-chloro-2,2-dimethyl-3H-1-benzofuran-5-yl)propanoic acid. LogP 3.2 Topological Polar Surface Area 46.5 A2 Hydrogen Bond Donors 1 Hydrogen Bond Acceptors 3 Rotatable Bonds 2 Exact Mass 254.07097 Heavy Atoms 17 Complexity 316.0 InChI Key: ZXIRWWZPOMQYML-UHFFFAOYSA-N. SMILES: CC(C1=CC2=C(C(=C1)Cl)OC(C2)(C)C)C(=O)O.

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