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Pinacolyl Methylphosphonate

CAT: 0572-TRC-P457305-1GSize: 1 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-P457305-1GSize:1 g
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CAS Number
616-52-4
Synonyms
Methylphosphonic acid, mono-(1,2,2-trimethylpropyl) ester
Hazard Statement
Combustible liquid
Smiles
CC(OP(=O)(C)O)C(C)(C)C
Molecular Formula
C7 H17 O3 P
Molecular Weight
180.1818
InChI
InChI=1S/C7H17O3P/c1-6(7(2,3)4)10-11(5,8)9/h6H,1-5H3,(H,8,9)
Additionnal Information
IUPAC name: 3,3-dimethylbutan-2-yloxy(methyl)phosphinic acid
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

Pinacolyl methylphosphonic acid

structure in first source

CAS Number616-52-4
PubChem CID12026
IUPAC Name3,3-dimethylbutan-2-yloxy(methyl)phosphinic acid
Molecular FormulaC7H17O3P
Molecular Weight180.18
XLogP1.1
Topological Polar Surface Area46.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count11
Formal Charge0
Complexity171
SMILES
CC(C(C)(C)C)OP(=O)(C)O
InChI
InChI=1S/C7H17O3P/c1-6(7(2,3)4)10-11(5,8)9/h6H,1-5H3,(H,8,9)
InChIKey
BLALDUPQYCGKAG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Pinacolyl methylphosphonic acid
CAS: 616-52-4
CID: 12026
Formula: C7H17O3P
MW: 180.18
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight180.18
XLogP31.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass180.09153140
Monoisotopic Mass180.09153140
Topological Polar Surface Area46.5 Ų
Heavy Atom Count11
Formal Charge0
Complexity171
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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TRC-D492115-10GDiphenyl Methylphosphonate
TRC-D442355-1GDiethyl Methylphosphonate
TRC-E924886-250MGEthyl Methylphosphonate
TRC-D442355-250MGDiethyl Methylphosphonate
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Alternative Products

CatalogName
sc-236399APinacolyl methylphosphonate
P19560Pinacolyl alcohol 97%
D42100Dimethyl methylphosphonate
449680-01Ethyl Methylphosphonate
447337-01Diphenyl Methylphosphonate
446852-01Diethyl Methylphosphonate
sc-268917Diisopropyl methylphosphonate
AR-P31467-01Dioctyl Methylphosphonate
RG-E141574-01Isopropyl methylphosphonate
RG-E141576-01Cyclohexyl methylphosphonate

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