9,10-Bis(diethylphosphonomethyl)anthracene

Catalog Number	ACM60974927-1
CAS	60974-92-7
Structure
Synonyms	[Anthracene-9,10-diylbis(methylene)]bisphosphonic Acid Tetraethyl Ester; Tetraethyl [Anthracene-9,10-diylbis(methylene)]bisphosphonate
IUPAC Name	9,10-bis(diethoxyphosphorylmethyl)anthracene
Molecular Weight	478.46
Molecular Formula	C24H32O6P2
Canonical SMILES	CCOP(=O)(CC1=C2C=CC=CC2=C(C3=CC=CC=C31)CP(=O)(OCC)OCC)OCC
InChI	PKLFGXZSNISEOV-UHFFFAOYSA-N
InChI Key	InChI=1S/C24H32O6P2/c1-5-27-31(25,28-6-2)17-23-19-13-9-11-15-21(19)24(22-16-12-10-14-20(22)23)18-32(26,29-7-3)30-8-4/h9-16H,5-8,17-18H2,1-4H3
Boiling Point	634.9±48.0 °C(Predicted)
Melting Point	158-162 °C
Purity	98%
Appearance	Solid
Complexity	571
Covalently-Bonded Unit Count	1
Exact Mass	478.167413g/mol
Formal Charge	0
Heavy Atom Count	32
Isomeric SMILES	CCOP(=O)(CC1=C2C=CC=CC2=C(C3=CC=CC=C31)CP(=O)(OCC)OCC)OCC
Monoisotopic Mass	478.167413g/mol
Rotatable Bond Count	12

Q&A

What is the CAS number for 9,10-Bis(diethylphosphonomethyl)anthracene?

The CAS number is 60974-92-7.

How many hydrogen bond acceptors does 9,10-Bis(diethylphosphonomethyl)anthracene have?

It has 6 hydrogen bond acceptors.

What is the molecular weight of 9,10-Bis(diethylphosphonomethyl)anthracene?

The molecular weight is 478.5g/mol.

How many heavy atoms are present in the structure of 9,10-Bis(diethylphosphonomethyl)anthracene?

There are 32 heavy atoms.

What is the IUPAC name of 9,10-Bis(diethylphosphonomethyl)anthracene?

The IUPAC name is 9,10-bis(diethoxyphosphorylmethyl)anthracene.

What is the InChIKey for 9,10-Bis(diethylphosphonomethyl)anthracene?

The InChIKey is PKLFGXZSNISEOV-UHFFFAOYSA-N.

How many rotatable bonds are there in the structure of 9,10-Bis(diethylphosphonomethyl)anthracene?

There are 12 rotatable bonds.

What is the topological polar surface area of 9,10-Bis(diethylphosphonomethyl)anthracene?

The topological polar surface area is 71.1.

What is the computed properties complexity of 9,10-Bis(diethylphosphonomethyl)anthracene?

The complexity is 571.

What is the molecular formula of 9,10-Bis(diethylphosphonomethyl)anthracene?

The molecular formula is C24H32O6P2.