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(RS) -PPG

CAT: 0013-GTR19204908-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19204908-01Size:25 mg
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Description
(RS) -PPG
CAS Number
120667-15-4
Field of Research
Neuroscience
Smiles
C (C (O) =O) (N) C1=CC=C (P (=O) (O) O) C=C1
Molecular Formula
C8H10NO5P
Molecular Weight
231.14
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

4-Phosphonophenylglycine

structure in first source

CAS Number120667-15-4
PubChem CID4545574
IUPAC Name2-amino-2-(4-phosphonophenyl)acetic acid
Molecular FormulaC8H10NO5P
Molecular Weight231.14
XLogP-3.7
Topological Polar Surface Area121
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Heavy Atom Count15
Formal Charge0
Complexity281
SMILES
C1=CC(=CC=C1C(C(=O)O)N)P(=O)(O)O
InChI
InChI=1S/C8H10NO5P/c9-7(8(10)11)5-1-3-6(4-2-5)15(12,13)14/h1-4,7H,9H2,(H,10,11)(H2,12,13,14)
InChIKey
JRQRKFDFHAPMGQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-Phosphonophenylglycine
CAS: 120667-15-4
CID: 4545574
Formula: C8H10NO5P
MW: 231.14
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight231.14
XLogP3-3.7
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Exact Mass231.02965942
Monoisotopic Mass231.02965942
Topological Polar Surface Area121 Ų
Heavy Atom Count15
Formal Charge0
Complexity281
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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