Boronicacid,b-[4-[[(3-hydroxypropyl)amino]carbonyl]phenyl]-

CAS
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Purity
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CAS
913835-29-7
Size
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Purity
98%
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Catalog Number

ACM913835297

Product Name

Boronicacid,b-[4-[[(3-hydroxypropyl)amino]carbonyl]phenyl]-

Structure

Structure

CAS

913835-29-7

Category

Heterocyclic Organic Compound

Synonyms

913835-29-7, 4-(3-Hydroxypropylcarbamoyl)phenylboronic acid, 4-[(3-Hydroxypropyl)carbamoyl]benzeneboronic acid, SureCN2556196, ACMC-209r90, CTK3I6354, MolPort-001-771-068, ANW-39586, OR9471, AKOS015856402, AG-H-74900, AK-95236, KB-34122, FT-0687809, 4-(3-Hydroxypropylcarbamoyl)phenylboronic acid,, B-4431, 4-[(3-hydroxypropyl)carbamoyl]phenylboronic acid, (4-((3-Hydroxypropyl)carbamoyl)phenyl)boronic acid, I04-2987, Boronicacid, B-[4-[[(3-hydroxypropyl)amino]carbonyl]phenyl]-

IUPAC Name

[4-(3-hydroxypropylcarbamoyl)phenyl]boronic acid

Molecular Weight

223.0346

Molecular Formula

C₁₀H₁₄BNO₄

Canonical SMILES

B(C1=CC=C(C=C1)C(=O)NCCCO)(O)O

InChI Key

VDMQHVJGIAQUHA-UHFFFAOYSA-N

Melting Point

224-226ºC

Density

1.27g/cm³

Exact Mass

223.10200

Hazard Statements

Xi

H-Bond Acceptor

4

H-Bond Donor

4

MSDS

COA

Spec Sheet

Download Spec Sheet

What is the molecular formula of Boronicacid,b-[4-[[(3-hydroxypropyl)amino]carbonyl]phenyl]?

The molecular formula is C10H14BNO4.

When was Boronicacid,b-[4-[[(3-hydroxypropyl)amino]carbonyl]phenyl] created on PubChem?

It was created on July 21, 2009.

What is the IUPAC name of Boronicacid,b-[4-[[(3-hydroxypropyl)amino]carbonyl]phenyl]?

The IUPAC name is [4-(3-hydroxypropylcarbamoyl)phenyl]boronic acid.

What is the InChI of Boronicacid,b-[4-[[(3-hydroxypropyl)amino]carbonyl]phenyl]?

The InChI is InChI=1S/C10H14BNO4/c13-7-1-6-12-10(14)8-2-4-9(5-3-8)11(15)16/h2-5,13,15-16H,1,6-7H2,(H,12,14).

What is the Canonical SMILES of Boronicacid,b-[4-[[(3-hydroxypropyl)amino]carbonyl]phenyl]?

The Canonical SMILES is B(C1=CC=C(C=C1)C(=O)NCCCO)(O)O.

What is the molecular weight of Boronicacid,b-[4-[[(3-hydroxypropyl)amino]carbonyl]phenyl]?

The molecular weight is 223.04 g/mol.

How many hydrogen bond donor counts does Boronicacid,b-[4-[[(3-hydroxypropyl)amino]carbonyl]phenyl] have?

It has 4 hydrogen bond donor counts.

What is the exact mass of Boronicacid,b-[4-[[(3-hydroxypropyl)amino]carbonyl]phenyl]?

The exact mass is 223.1015881 g/mol.

Is the compound considered canonicalized on PubChem?

Yes, the compound is canonicalized on PubChem.

What is the topological polar surface area of Boronicacid,b-[4-[[(3-hydroxypropyl)amino]carbonyl]phenyl]?

The topological polar surface area is 89.8 Å².

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