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2-(4-Methylthiazol-5-yl)ethyl valerate

Name: 2-(4-Methylthiazol-5-yl)ethyl valerate
SKU: ACM94159305-1
Rating: 5 (1 reviews)

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Catalog NumberACM94159305-1

CAS Number94159-30-5

CategoryFatty-acid Products

Synonyms

EINECS 303-208-2, CID3023837, 2-(4-Methylthiazol-5-yl)ethyl valerate, 94159-30-5

IUPAC Name

2-(4-methyl-1,3-thiazol-5-yl)ethyl pentanoate

Molecular Weight

227.32318

Molecular Formula

C₁₁H₁₇NO₂S

InChI Key

YCFURYOJKUTCOJ-UHFFFAOYSA-N

Boiling Point

322.7ºC at 760mmHg

Flash Point

148.9ºC

Purity

96%

Density

1.096g/cm³

Exact Mass

227.09800

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Custom Q&A

What is the IUPAC name of the compound with PubChem CID 3023837?

The IUPAC name is 2-(4-methyl-1,3-thiazol-5-yl)ethyl pentanoate.

What is the molecular formula of the compound?

The molecular formula is C11H17NO2S.

What is the molecular weight of the compound?

The molecular weight is 227.33 g/mol.

What is the Canonical SMILES of the compound?

The Canonical SMILES is CCCCC(=O)OCCC1=C(N=CS1)C.

What is the InChIKey of the compound?

The InChIKey is YCFURYOJKUTCOJ-UHFFFAOYSA-N.

How many hydrogen bond acceptor counts does the compound have?

The compound has 4 hydrogen bond acceptor counts.

What is the topological polar surface area of the compound?

The topological polar surface area is 67.4 Å².

Does the compound have any defined atom stereocenter count?

No, the compound does not have any defined atom stereocenter count.

How many rotatable bond counts does the compound have?

The compound has 7 rotatable bond counts.

Is the compound canonicalized?

Yes, the compound is canonicalized.

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