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Structure

1-(4-Methylphenyl)-3-buten-1-ol

CAS
24165-63-7
Catalog Number
ACM24165637-1
Category
Alkenes
Molecular Weight
162.23

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Specification

Hazard Statements
H226
RIDADR
NONH for all modes of transport
Symbol
GHS02
What is the molecular formula of the compound?

The molecular formula of the compound is C11H14O.

What is the molecular weight of the compound?

The molecular weight of the compound is 162.23 g/mol.

What is the IUPAC name of the compound?

The IUPAC name of the compound is 1-(4-methylphenyl)but-3-en-1-ol.

What is the InChI of the compound?

The InChI of the compound is InChI=1S/C11H14O/c1-3-4-11(12)10-7-5-9(2)6-8-10/h3,5-8,11-12H,1,4H2,2H3.

What is the InChIKey of the compound?

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

What is the canonical SMILES of the compound?

The canonical SMILES of the compound is CC1=CC=C(C=C1)C(CC=C)O.

What is the CAS number of the compound?

The CAS number of the compound is 24165-63-7.

What is the XLogP3-AA value of the compound?

The XLogP3-AA value of the compound is 2.5.

How many hydrogen bond donor counts does the compound have?

The compound has 1 hydrogen bond donor count.

How many rotatable bond counts does the compound have?

The compound has 3 rotatable bond counts.

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