AC1MI6JT structure

AC1MI6JT

2-hydroxypropane-1,2,3-tricarboxylic acid;(1-propan-2-ylpyrrolidin-3-yl) 2-(5-fluoro-2-methoxyphenyl)-3-methylpentanoate

Also Known As: Benzeneacetic acid, 5-fluoro-2-methoxy-alpha-(1-methylpropyl)-, 1-(1-methylethyl)-3-pyrrolidinyl ester, 2-hydroxy-1,2,3-propanetricarboxylate|2-Hydroxypropane-1,2,3-tricarboxylic acid--1-(propan-2-yl)pyrrolidin-3-yl 2-(5-fluoro-2-methoxyphenyl)-3-methylpentanoate (1/1)|2-hydroxypropane-1,2,3-tricarboxylic acid; (1-propan-2-ylpyrrolidin-3-yl) 2-(5-fluoro-2-methoxyphenyl)-3-methylpentanoate|Benzeneacetic acid, 5-fluoro-2-methoxy-alpha-(1-methylpropyl)-, 1-(1-methylethyl)-3-pyrrolidinyl ester, 2-hydroxy-1,2,3-propanetricarboxylate (1:?)

CAS: 42729-60-2
Molecular Formula C26H38FNO10
Molecular Weight 543.248 g/mol
LogP 2.7414
Topological Polar Surface Area 170.9 Ų
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 8
Rotatable Bonds 12
Exact Mass 543.248
Monoisotopic Mass 543.248
Heavy Atoms 38
Complexity 966.7756

Chemical Identifiers

CAS Number 42729-60-2
SMILES CCC(C)C(C1=C(C=CC(=C1)F)OC)C(=O)OC2CCN(C2)C(C)C.C(C(=O)O)C(CC(=O)O)(C(=O)O)O

Product Overview

AC1MI6JT (CAS 42729-60-2), with molecular formula C26H38FNO10 and molecular weight 543.248 g/mol. IUPAC: 2-hydroxypropane-1,2,3-tricarboxylic acid;(1-propan-2-ylpyrrolidin-3-yl) 2-(5-fluoro-2-methoxyphenyl)-3-methylpentanoate.

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