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Structure

9-Stearyl-9-phosphabicyclo[3.3.1]nonane

CAS
99886-25-6
Catalog Number
ACM99886256
Category
Other Products
Molecular Weight
394.656901 [g/mol]
Molecular Formula
C26H51P

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Specification

Synonyms
EINECS 309-072-0, CID113537, 9-Stearyl-9-phosphabicyclo(3.3.1)nonane, 99886-25-6
IUPAC Name
9-octadecyl-9-phosphabicyclo[3.3.1]nonane
Canonical SMILES
CCCCCCCCCCCCCCCCCCP1C2CCCC1CCC2
InChI Key
CMTVKSLVXRIWBW-UHFFFAOYSA-N
Boiling Point
482.1ºC at 760 mmHg
Flash Point
260.3ºC
EC Number
309-072-0
Exact Mass
394.37300
H-Bond Acceptor
0
H-Bond Donor
0
What is the molecular formula of 9-Stearyl-9-phosphabicyclo[3.3.1]nonane?

The molecular formula is C26H51P.

When was 9-Stearyl-9-phosphabicyclo[3.3.1]nonane first created in PubChem?

It was first created on August 8, 2005.

What is the IUPAC name of 9-Stearyl-9-phosphabicyclo[3.3.1]nonane?

The IUPAC name is 9-octadecyl-9-phosphabicyclo[3.3.1]nonane.

What is the InChIKey of 9-Stearyl-9-phosphabicyclo[3.3.1]nonane?

The InChIKey is CMTVKSLVXRIWBW-UHFFFAOYSA-N.

What is the molecular weight of 9-Stearyl-9-phosphabicyclo[3.3.1]nonane?

The molecular weight is 394.7 g/mol.

What is the XLogP3-AA value of 9-Stearyl-9-phosphabicyclo[3.3.1]nonane?

The XLogP3-AA value is 10.6.

How many rotatable bonds does 9-Stearyl-9-phosphabicyclo[3.3.1]nonane have?

It has 17 rotatable bonds.

What is the exact mass of 9-Stearyl-9-phosphabicyclo[3.3.1]nonane?

The exact mass is 394.37283862 g/mol.

How many hydrogen bond donor counts does 9-Stearyl-9-phosphabicyclo[3.3.1]nonane have?

It has 0 hydrogen bond donor counts.

Is 9-Stearyl-9-phosphabicyclo[3.3.1]nonane a canonicalized compound in PubChem?

Yes, it is a canonicalized compound.

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