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N-Acetyl Glyphosate

CAT: 0572-TRC-A178245-50MGSize: 50 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-A178245-50MGSize:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
129660-96-4
Synonyms
N-Acetyl-N-(phosphonomethyl)glycine; N-Acetylglyphosate;
Hazard Statement
Causes serious eye damage; UN number: UN3077; Packing Group: III
Purity
>95% (HPLC)
Smiles
CC(=O)N(CC(=O)O)CP(=O)(O)O
Molecular Formula
C5 H10 N O6 P
Molecular Weight
211.11
InChI
InChI=1S/C5H10NO6P/c1-4(7)6(2-5(8)9)3-13(10,11)12/h2-3H2,1H3,(H,8,9)(H2,10,11,12)
Additionnal Information
IUPAC name: 2-[acetyl(phosphonomethyl)amino]acetic acid
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

2-[N-(phosphonomethyl)acetamido]acetic acid
CAS Number129660-96-4
PubChem CID23510850
IUPAC Name2-[acetyl(phosphonomethyl)amino]acetic acid
Molecular FormulaC5H10NO6P
Molecular Weight211.11
XLogP-2.4
Topological Polar Surface Area115
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Heavy Atom Count13
Formal Charge0
Complexity258
SMILES
CC(=O)N(CC(=O)O)CP(=O)(O)O
InChI
InChI=1S/C5H10NO6P/c1-4(7)6(2-5(8)9)3-13(10,11)12/h2-3H2,1H3,(H,8,9)(H2,10,11,12)
InChIKey
BFECXRMSKVFCNB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-[N-(phosphonomethyl)acetamido]acetic acid
CAS: 129660-96-4
CID: 23510850
Formula: C5H10NO6P
MW: 211.11
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight211.11
XLogP3-2.4
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Exact Mass211.02457404
Monoisotopic Mass211.02457404
Topological Polar Surface Area115 Ų
Heavy Atom Count13
Formal Charge0
Complexity258
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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