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2-(Dimethoxyphosphoryl)acetic acid

CAT: 0572-TRC-D479333-100MGSize: 100 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-D479333-100MGSize:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
34159-46-1
Hazard Statement
No Data Available
Purity
>95% (HPLC)
Smiles
COP(=O)(CC(=O)O)OC
Molecular Formula
C4H9O5P
Molecular Weight
168.09
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

2-(Dimethoxyphosphoryl)acetic acid
CAS Number34159-46-1
PubChem CID189964
IUPAC Name2-dimethoxyphosphorylacetic acid
Molecular FormulaC4H9O5P
Molecular Weight168.08
XLogP-0.9
Topological Polar Surface Area72.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Heavy Atom Count10
Formal Charge0
Complexity157
SMILES
COP(=O)(CC(=O)O)OC
InChI
InChI=1S/C4H9O5P/c1-8-10(7,9-2)3-4(5)6/h3H2,1-2H3,(H,5,6)
InChIKey
QOJLTIJRCYTUDQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-(Dimethoxyphosphoryl)acetic acid
CAS: 34159-46-1
CID: 189964
Formula: C4H9O5P
MW: 168.08
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight168.08
XLogP3-0.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Exact Mass168.01876038
Monoisotopic Mass168.01876038
Topological Polar Surface Area72.8 Ų
Heavy Atom Count10
Formal Charge0
Complexity157
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

Related Products

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TRC-D493010-50MG2-(Diphenylphosphoryl)acetic Acid
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Alternative Products

CatalogName
414187-012- (Dimethoxyphosphoryl) acetic acid
SRB58396-012- (Ethylsulfamoyl) acetic acid
FP01200-01(2-Pyrimidylthio) acetic acid
HY-139040-012- (Tetradecylthio) acetic acid
T38735-01(2-Hydroxyethoxy) acetic acid
268864-012- (Cyclopropylmethoxy) -acetic acid
418506-012-Isopropylphenoxy Acetic Acid
418074-01(2-Fluorophenoxy) acetic acid
414364-012- (Pivaloyloxy) acetic Acid
RG-I191002-012- (Isonicotinamido) Acetic Acid

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