4-Hydroxy-4-methylpent-2-ynoic acid

CAS
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Purity
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CAS
50624-25-4
Size
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Purity
96%
Price
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Availability
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Catalog Number

ACM50624254

Product Name

4-Hydroxy-4-methylpent-2-ynoic acid

Structure

Structure

CAS

50624-25-4

Category

Alcohols

Synonyms

4-hydroxy-4-methylpent-2-ynoic acid, 50624-25-4, AC1MKW9B, Ambcb5858379, CTK4J2900, MolPort-003-991-719, AKOS005263947, AG-A-75795, AG-F-70314, AK-97449, AB1008880, BB 0260136, 4-hydroxy-4-methylpent-2-ynoic acid (may contain trace amounts of NaCl and water)

IUPAC Name

4-hydroxy-4-methylpent-2-ynoic acid

Molecular Weight

128.13

Molecular Formula

C₆H₈O₃

Canonical SMILES

CC(C)(C#CC(=O)O)O

InChI Key

SSMODACYDJLXEK-UHFFFAOYSA-N

Boiling Point

275.8ºC at 760 mmHg

Flash Point

134.8ºC

Density

1.243g/cm³

Exact Mass

128.04700

Hazard Statements

H226-H315-H319-H335

H-Bond Acceptor

3

H-Bond Donor

2

RIDADR

NONH for all modes of transport

Symbol

GHS02

MSDS

COA

Spec Sheet

Download Spec Sheet

What is the IUPAC name of the compound?

The IUPAC name of the compound is 4-hydroxy-4-methylpent-2-ynoic acid.

What is the molecular formula of the compound?

The molecular formula of the compound is C6H8O3.

What is the molecular weight of the compound?

The molecular weight of the compound is 128.13 g/mol.

What is the InChIKey of the compound?

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

What is the canonical SMILES of the compound?

The canonical SMILES of the compound is CC(C)(C#CC(=O)O).

What is the CAS number of the compound?

The CAS number of the compound is 50624-25-4.

What is the XLogP3-AA value of the compound?

The XLogP3-AA value of the compound is 0.1.

How many hydrogen bond donor counts are there in the compound?

There are 2 hydrogen bond donor counts in the compound.

How many hydrogen bond acceptor counts are there in the compound?

There are 3 hydrogen bond acceptor counts in the compound.

How many rotatable bond counts are there in the compound?

There is 1 rotatable bond count in the compound.

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