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Structure

4-(3-Boc-amino-phenyl)-2,4-dioxo-butyric acid methyl ester

CAS
943641-43-8
Catalog Number
ACM943641438
Category
Other Products
Molecular Weight
321.33
Molecular Formula
C16H19NO6

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Specification

Synonyms
4-(3-BOC-AMINO-PHENYL)-2,4-DIOXO-BUTYRIC ACID METHYL ESTER
What is the molecular formula of the compound?

The molecular formula of the compound is C16H19NO6.

When was the compound created and modified?

The compound was created on 2007-10-02 and modified on 2023-12-30.

What is the molecular weight of the compound?

The molecular weight of the compound is 321.32 g/mol.

What is the IUPAC Name of the compound?

The IUPAC Name of the compound is methyl 4-[3-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]-2,4-dioxobutanoate.

What is the InChI of the compound?

The InChI of the compound is InChI=1S/C16H19NO6/c1-16(2,3)23-15(21)17-11-7-5-6-10(8-11)12(18)9-13(19)14(20)22-4/h5-8H,9H2,1-4H3,(H,17,21).

What is the InChIKey of the compound?

The InChIKey of the compound is FPFKQOSCTONVNT-UHFFFAOYSA-N.

What is the Canonical SMILES of the compound?

The Canonical SMILES of the compound is CC(C)(C)OC(=O)NC1=CC=CC(=C1)C(=O)CC(=O)C(=O)OC.

How many Hydrogen Bond Donor Count does the compound have?

The compound has 1 Hydrogen Bond Donor.

What is the Exact Mass of the compound?

The Exact Mass of the compound is 321.12123733 g/mol.

Is the compound Canonicalized?

Yes, the compound is Canonicalized.

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