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CHEMISTRY
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ACTIVE PHARMA INGREDIENTS

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Chemistry

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Also known as: 40182-75-0, Strontium;2-hydroxypropane-1,2,3-tricarboxylate, 1,2,3-propanetricarboxylic acid, 2-hydroxy-, strontium salt

Molecular Formula

C₆H₅O₇Sr-

Molecular Weight

276.72 g/mol

InChI Key

AOOMUVYEFFNMQG-UHFFFAOYSA-K

1 2D Structure

Strontium Citrate

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

strontium;2-hydroxypropane-1,2,3-tricarboxylate

2.1.2 InChI

InChI=1S/C6H8O7.Sr/c7-3(8)1-6(13,5(11)12)2-4(9)10;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);/q;+2/p-3

2.1.3 InChI Key

AOOMUVYEFFNMQG-UHFFFAOYSA-K

2.1.4 Canonical SMILES

C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O.[Sr+2]

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 40182-75-0

2. Strontium;2-hydroxypropane-1,2,3-tricarboxylate

3. 1,2,3-propanetricarboxylic Acid, 2-hydroxy-, Strontium Salt

2.3 Create Date

2005-08-09

3 Chemical and Physical Properties

Molecular Formula	C₆H₅O₇Sr-
Molecular Weight	276.72 g/mol
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	2
Exact Mass	276.90913975 g/mol
Monoisotopic Mass	276.90913975 g/mol
Topological Polar Surface Area	141 Å²
Heavy Atom Count	14
Formal Charge	-1
Complexity	211
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	2