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Structure

4-(Acetylaminomethyl)benzeneboronic acid

CAS
850568-41-1
Catalog Number
ACM850568411
Category
Boro-Amino Acids
Molecular Weight
193.01
Molecular Formula
C9H12BNO3

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Specification

Synonyms
850568-41-1, 4-Acetamidomethylphenylboronic acid, 4-(Acetylaminomethyl)benzeneboronic acid, 4-(Acetamidomethyl)benzeneboronic acid, PubChem14580, ACMC-209q1x, SureCN101621, CTK5F3962, MolPort-001-760-781, 4-(acetamidomethyl)phenylboronic acid, ANW-38035, OR1333, AKOS006222262, AB26390, AG-H-41277, (4-(Acetamidomethyl)phenyl)boronic acid, AK-84332, KB-36123, (4-ACETAMIDOMETHYLPHENYL)BORONIC ACID, FT-0644937
IUPAC Name
[4-(acetamidomethyl)phenyl]boronic acid
Canonical SMILES
B(C1=CC=C(C=C1)CNC(=O)C)(O)O
InChI Key
ZMJVNKSOLIUBKO-UHFFFAOYSA-N
Melting Point
278-280ºC
Density
1.19g/cm³
Exact Mass
193.09100
H-Bond Acceptor
3
H-Bond Donor
3
What is the molecular formula of 4-(Acetylaminomethyl)benzeneboronic acid?

The molecular formula of 4-(Acetylaminomethyl)benzeneboronic acid is C9H12BNO3.

What is the molecular weight of 4-(Acetylaminomethyl)benzeneboronic acid?

The molecular weight of 4-(Acetylaminomethyl)benzeneboronic acid is 193.01 g/mol.

What is the IUPAC name of 4-(Acetylaminomethyl)benzeneboronic acid?

The IUPAC name of 4-(Acetylaminomethyl)benzeneboronic acid is [4-(acetamidomethyl)phenyl]boronic acid.

What is the InChI of 4-(Acetylaminomethyl)benzeneboronic acid?

The InChI of 4-(Acetylaminomethyl)benzeneboronic acid is InChI=1S/C9H12BNO3/c1-7(12)11-6-8-2-4-9(5-3-8)10(13)14/h2-5,13-14H,6H2,1H3,(H,11,12).

What is the InChIKey of 4-(Acetylaminomethyl)benzeneboronic acid?

The InChIKey of 4-(Acetylaminomethyl)benzeneboronic acid is ZMJVNKSOLIUBKO-UHFFFAOYSA-N.

What is the canonical SMILES of 4-(Acetylaminomethyl)benzeneboronic acid?

The canonical SMILES of 4-(Acetylaminomethyl)benzeneboronic acid is B(C1=CC=C(C=C1)CNC(=O)C)(O)O.

What is the CAS number of 4-(Acetylaminomethyl)benzeneboronic acid?

The CAS number of 4-(Acetylaminomethyl)benzeneboronic acid is 850568-41-1.

What is the EC number of 4-(Acetylaminomethyl)benzeneboronic acid?

The EC number of 4-(Acetylaminomethyl)benzeneboronic acid is 695-699-8.

Is 4-(Acetylaminomethyl)benzeneboronic acid a canonicalized compound?

Yes, 4-(Acetylaminomethyl)benzeneboronic acid is canonicalized.

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