Pinacolyl methylphosphonate

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CAT#:0024-sc-236399ASize:5 g

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CAS Number

616-52-4

Chemical Information

Pinacolyl methylphosphonic acid

structure in first source

CAS Number	616-52-4
PubChem CID	12026
IUPAC Name	3,3-dimethylbutan-2-yloxy(methyl)phosphinic acid
Molecular Formula	C7H17O3P
Molecular Weight	180.18
XLogP	1.1
Topological Polar Surface Area	46.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Heavy Atom Count	11
Formal Charge	0
Complexity	171

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

CAS: 616-52-4

CID: 12026

Formula: C7H17O3P

MW: 180.18

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	180.18
XLogP3	1.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	180.09153140
Monoisotopic Mass	180.09153140
Topological Polar Surface Area	46.5 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	171
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
sc-228072	Ethyl methylphosphonate
sc-268917	Diisopropyl methylphosphonate
sc-278969	Diisobutyl methylphosphonate
sc-278895	Cyclohexyl methyl methylphosphonate
sc-486532	Di-o-tolyl Methylphosphonate
sc-268847	Di-n-butyl methylphosphonate
sc-234033	Bis (2,2,2-trifluoroethyl) methylphosphonate
sc-231415	3- (Trihydroxysilyl) propyl methylphosphonate, monosodium salt solution
sc-353205	Di (1R,2S,5R) -menthyl (R) -hydroxy (phenyl) methylphosphonate
sc-353205A	Di (1R,2S,5R) -menthyl (R) -hydroxy (phenyl) methylphosphonate

Catalog	Name
TRC-P457305-1G	Pinacolyl Methylphosphonate
P19560	Pinacolyl alcohol 97%
TRC-E924886-100MG	Ethyl Methylphosphonate
TRC-D492115-1G	Diphenyl Methylphosphonate
D42100	Dimethyl methylphosphonate
446852-01	Diethyl Methylphosphonate
AR-P31467-01	Dioctyl Methylphosphonate
1445-75-6	DIISOPROPYL METHYLPHOSPHONATE
RG-E141574-01	Isopropyl methylphosphonate
RG-E141576-01	Cyclohexyl methylphosphonate