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3,3',3''-Phosphoryltripropanoic acid

CAT: 0127-OR1072752-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0127-OR1072752-01Size:100 mg
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CAS Number
5962-40-3
Purity
95%
Smiles
O=P(CCC(=O)O)(CCC(=O)O)CCC(=O)O

Chemical Information

3,3',3''-Phosphoryltripropanoic acid
CAS Number5962-40-3
PubChem CID14816565
IUPAC Name3-[bis(2-carboxyethyl)phosphoryl]propanoic acid
Molecular FormulaC9H15O7P
Molecular Weight266.18
XLogP-2.1
Topological Polar Surface Area129
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count9
Heavy Atom Count17
Formal Charge0
Complexity297
SMILES
C(CP(=O)(CCC(=O)O)CCC(=O)O)C(=O)O
InChI
InChI=1S/C9H15O7P/c10-7(11)1-4-17(16,5-2-8(12)13)6-3-9(14)15/h1-6H2,(H,10,11)(H,12,13)(H,14,15)
InChIKey
XJGZCDJZBUBTKW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3,3',3''-Phosphoryltripropanoic acid
CAS: 5962-40-3
CID: 14816565
Formula: C9H15O7P
MW: 266.18
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight266.18
XLogP3-2.1
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count9
Exact Mass266.05553981
Monoisotopic Mass266.05553981
Topological Polar Surface Area129 Ų
Heavy Atom Count17
Formal Charge0
Complexity297
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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