N-Acetyl Glyphosate

CAT: 0024-sc-479500CSize: 1 gDry Ice: NoHazardous: No

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CAT#:0024-sc-479500CSize:1 g

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CAS Number

129660-96-4

Chemical Information

2-[N-(phosphonomethyl)acetamido]acetic acid

CAS Number	129660-96-4
PubChem CID	23510850
IUPAC Name	2-[acetyl(phosphonomethyl)amino]acetic acid
Molecular Formula	C5H10NO6P
Molecular Weight	211.11
XLogP	-2.4
Topological Polar Surface Area	115
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	4
Heavy Atom Count	13
Formal Charge	0
Complexity	258

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

CAS: 129660-96-4

CID: 23510850

Formula: C5H10NO6P

MW: 211.11

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	211.11
XLogP3	-2.4
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	4
Exact Mass	211.02457404
Monoisotopic Mass	211.02457404
Topological Polar Surface Area	115 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	258
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	1
Compound Is Canonicalized	Yes

Catalog	Name
TRC-A178245-50MG	N-Acetyl Glyphosate
001396	N-Acetyl Glyphosate-d3
TRC-A178247-10MG	N-Acetyl Glyphosate-13C2,15N
258807-01	N-Acetyl glyphosate discontinued. See 001394
AR-A06450-01	N-Nitroso Glyphosate
CS-O-44103	Glyphosate-N-nitroso-sodium
PCT1835	Glyphosate 95.0% [N- (Phosphonomethyl) glycine] Plant Culture Tested
A4623-500	Glyphosate