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(R) - (-) -Phencyphos Hydrate

CAT: 0024-sc-311513ASize: 1 gDry Ice: NoHazardous: No
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CAS Number
953776-24-4

Chemical Information

(R)-(-)-Phencyphos Hydrate
CAS Number953776-24-4
PubChem CID45933813
IUPAC Name(4R)-2-hydroxy-5,5-dimethyl-4-phenyl-1,3,2lambda5-dioxaphosphinane 2-oxide;hydrate
Molecular FormulaC11H17O5P
Molecular Weight260.22
Topological Polar Surface Area56.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Heavy Atom Count17
Formal Charge0
Complexity296
SMILES
CC1(COP(=O)(O[C@@H]1C2=CC=CC=C2)O)C.O
InChI
InChI=1S/C11H15O4P.H2O/c1-11(2)8-14-16(12,13)15-10(11)9-6-4-3-5-7-9;/h3-7,10H,8H2,1-2H3,(H,12,13);1H2/t10-;/m1./s1
InChIKey
MHOPBMJZQKXMOE-HNCPQSOCSA-N
Chemical Structure
2D Structure
2D structure of (R)-(-)-Phencyphos Hydrate
CAS: 953776-24-4
CID: 45933813
Formula: C11H17O5P
MW: 260.22
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight260.22
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Exact Mass260.08136064
Monoisotopic Mass260.08136064
Topological Polar Surface Area56.8 Ų
Heavy Atom Count17
Formal Charge0
Complexity296
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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