(Z)-Hex-3-enyl 2-(acetylamino)benzoate

CAS
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CAS
94333-66-1
Size
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Purity
96%
Price
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Availability
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Catalog Number

ACM94333661

Product Name

(Z)-Hex-3-enyl 2-(acetylamino)benzoate

Structure

Structure

CAS

94333-66-1

Category

Heterocyclic Organic Compound

Synonyms

(Z)-Hex-3-enyl 2-(acetylamino)benzoate, 94333-66-1, CTK5H6418, AG-H-89520

IUPAC Name

hex-3-enyl 2-acetamidobenzoate

Molecular Weight

261.316260 [g/mol]

Molecular Formula

C₁₅H₁₉NO₃

Canonical SMILES

CCC=CCCOC(=O)C1=CC=CC=C1NC(=O)C

InChI Key

SSWSYYMGBHCUHC-UHFFFAOYSA-N

Boiling Point

442.4ºC at 760mmHg

Flash Point

221.4ºC

Density

1.104g/cm³

EC Number

305-046-8

Exact Mass

261.13600

H-Bond Acceptor

3

H-Bond Donor

1

MSDS

COA

Spec Sheet

Download Spec Sheet

What is the molecular formula of (Z)-Hex-3-enyl 2-(acetylamino)benzoate?

The molecular formula is C15H19NO3.

What is the molecular weight of (Z)-Hex-3-enyl 2-(acetylamino)benzoate?

The molecular weight is 261.32 g/mol.

What are some synonyms for (Z)-Hex-3-enyl 2-(acetylamino)benzoate?

Synonyms include 94333-66-1, EINECS 305-046-8, and Benzoic acid, 2-(acetylamino)-, 3-hexenyl ester, (Z)-.

What is the IUPAC name of (Z)-Hex-3-enyl 2-(acetylamino)benzoate?

The IUPAC name is [(Z)-hex-3-enyl] 2-acetamidobenzoate.

What is the InChIKey of (Z)-Hex-3-enyl 2-(acetylamino)benzoate?

The InChIKey is SSWSYYMGBHCUHC-PLNGDYQASA-N.

How many hydrogen bond donor counts does (Z)-Hex-3-enyl 2-(acetylamino)benzoate have?

It has 1 hydrogen bond donor count.

What is the XLogP3 value of (Z)-Hex-3-enyl 2-(acetylamino)benzoate?

The XLogP3 value is 3.4.

How many rotatable bond counts does (Z)-Hex-3-enyl 2-(acetylamino)benzoate have?

It has 7 rotatable bond counts.

What is the topological polar surface area of (Z)-Hex-3-enyl 2-(acetylamino)benzoate?

The topological polar surface area is 55.4?².

Is (Z)-Hex-3-enyl 2-(acetylamino)benzoate a canonicalized compound?

Yes, it is a canonicalized compound according to PubChem.

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