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L-690,330

CAT: 0024-sc-202685ASize: 10 mgDry Ice: NoHazardous: No
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CAT#:0024-sc-202685ASize:10 mg
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CAS Number
142523-38-4

Chemical Information

L 690330

[1-(4-hydroxyphenoxy)-1-phosphonoethyl]phosphonic acid is a 1,1-bis(phosphonic acid).

CAS Number142523-38-4
PubChem CID132449
IUPAC Name[1-(4-hydroxyphenoxy)-1-phosphonoethyl]phosphonic acid
Molecular FormulaC8H12O8P2
Molecular Weight298.12
XLogP-1.7
Topological Polar Surface Area145
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count8
Rotatable Bond Count4
Heavy Atom Count18
Formal Charge0
Complexity355
SMILES
CC(OC1=CC=C(C=C1)O)(P(=O)(O)O)P(=O)(O)O
InChI
InChI=1S/C8H12O8P2/c1-8(17(10,11)12,18(13,14)15)16-7-4-2-6(9)3-5-7/h2-5,9H,1H3,(H2,10,11,12)(H2,13,14,15)
InChIKey
JKOCAAWWDVHWKB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of L 690330
CAS: 142523-38-4
CID: 132449
Formula: C8H12O8P2
MW: 298.12
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight298.12
XLogP3-1.7
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count8
Rotatable Bond Count4
Exact Mass298.00074133
Monoisotopic Mass298.00074133
Topological Polar Surface Area145 Ų
Heavy Atom Count18
Formal Charge0
Complexity355
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