p-Xylylenebisphosphonic acid

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Catalog Number

ACM4546069

Product Name

Structure

CAS

4546-06-9

Category

Heterocyclic Organic Compound

Synonyms

P-XYLYLENEBISPHOSPHONIC ACID;p-Xylylenebisphosphonic acid, 98 %

IUPAC Name

[4-(phosphonomethyl)phenyl]methylphosphonic acid

Molecular Weight

266.12g/mol

Molecular Formula

C8H12O6P2

Canonical SMILES

C1=CC(=CC=C1CP(=O)(O)O)CP(=O)(O)O

InChI

InChI=1S/C8H12O6P2/c9-15(10,11)5-7-1-2-8(4-3-7)6-16(12,13)14/h1-4H,5-6H2,(H2,9,10,11)(H2,12,13,14)

InChI Key

ZURHBENZJDSCRG-UHFFFAOYSA-N

Complexity

279

Covalently-Bonded Unit Count

Exact Mass

266.010912g/mol

Formal Charge

H-Bond Acceptor

H-Bond Donor

Heavy Atom Count

Monoisotopic Mass

266.010912g/mol

Rotatable Bond Count

XLogP3

-2.1

MSDS

COA

Spec Sheet

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