AG003U04

4671-82-3 | Propylenediphosphonicacid

AG003U04

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CAS Number	4671-82-3
Catalog Number	AG003U04(AGN-PC-0JR999)
Chemical Name	Propylenediphosphonicacid
IUPAC Name	1-phosphonopropan-2-ylphosphonic acid
InChI	InChI=1S/C3H10O6P2/c1-3(11(7,8)9)2-10(4,5)6/h3H,2H2,1H3,(H2,4,5,6)(H2,7,8,9)
InChI Key	DZQCAOQMXPROIJ-UHFFFAOYSA-N
MDL Number	MFCD00013960
Molecular Formula	C3H10O6P2
Molecular Weight	204.0554
SMILES	OP(CCCP(O)(O)=O)(O)=O
Synonyms	PROPYLENEDIPHOSPHONIC ACID, 4671-82-3, MFCD00050066, (1-phosphonopropan-2-yl)phosphonic acid, 4672-40-6, ACMC-20ajta, propylene-bisphosphonic acid, SCHEMBL624045, PROPYLENEDIPHOSPHONICACID, CTK3J2685, DTXSID30621646, AKOS017343102, Propane-1,2-diylbis(phosphonic acid), RT-000900, 1-PHOSPHONOPROPAN-2-YLPHOSPHONIC ACID, Phosphonic acid, 1,3-propanediylbis-,

Complexity	212
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	203.995g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	4
Isotope Atom Count	0
Molecular Weight	204.055g/mol
Monoisotopic Mass	203.995g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	115A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	-3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P280-P305+P351+P338-P337+P313
Signal Words	warning
UN Code

Certificate of Analysis

Lot Number