Isopropyl phenylphosphinate

CAT: 0127-OR1058766-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1058766-01Size:100 mg

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CAS Number

13336-50-0

MDL Number

MFCD25958102

Purity

97%

Smiles

O=P(C1=CC=CC=C1)OC(C)C

Chemical Information

1-Methylethyl P-phenylphosphinate

CAS Number	13336-50-0
PubChem CID	6712133
IUPAC Name	oxo-phenyl-propan-2-yloxyphosphanium
Molecular Formula	C9H12O2P+
Molecular Weight	183.16
XLogP	2
Topological Polar Surface Area	26.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Heavy Atom Count	12
Formal Charge	1
Complexity	151

SMILES

CC(C)O[P+](=O)C1=CC=CC=C1

InChI

InChI=1S/C9H12O2P/c1-8(2)11-12(10)9-6-4-3-5-7-9/h3-8H,1-2H3/q+1

InChIKey

FJMSKRLBBGCDOC-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 13336-50-0

CID: 6712133

Formula: C9H12O2P+

MW: 183.16

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	183.16
XLogP3	2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	183.05749162
Monoisotopic Mass	183.05749162
Topological Polar Surface Area	26.3 Å²
Heavy Atom Count	12
Formal Charge	1
Complexity	151
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

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