1,4-butanediphosphonic acid

Catalog Number	ACM4671776-2
CAS	4671-77-6
Structure
Synonyms	Butane-1,4-diphosphonic acid; 1,4-Diphosphonobutane
IUPAC Name	4-phosphonobutylphosphonic acid
Molecular Weight	218.08
Molecular Formula	C4H12O6P2
InChI	InChI=1S/C4H12O6P2/c5-11(6,7)3-1-2-4-12(8,9)10/h1-4H2,(H2,5,6,7)(H2,8,9,10)
InChI Key	JKTORXLUQLQJCM-UHFFFAOYSA-N
Boiling Point	219-221 °C
Melting Point	219-221 °C
Purity	97%
Complexity	190
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Exact Mass	218.01091209g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	4
Monoisotopic Mass	218.01091209g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	115Ų