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Methyl diphenylphosphite

CAT: 0024-sc-269569Size: 1 gDry Ice: NoHazardous: No
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CAT#:0024-sc-269569Size:1 g
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CAS Number
3577-87-5

Chemical Information

Methyl diphenyl phosphite
CAS Number3577-87-5
PubChem CID520764
IUPAC Namemethyl diphenyl phosphite
Molecular FormulaC13H13O3P
Molecular Weight248.21
XLogP3.7
Topological Polar Surface Area27.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Heavy Atom Count17
Formal Charge0
Complexity181
SMILES
COP(OC1=CC=CC=C1)OC2=CC=CC=C2
InChI
InChI=1S/C13H13O3P/c1-14-17(15-12-8-4-2-5-9-12)16-13-10-6-3-7-11-13/h2-11H,1H3
InChIKey
NYCZNDFWFCCTPA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Methyl diphenyl phosphite
CAS: 3577-87-5
CID: 520764
Formula: C13H13O3P
MW: 248.21
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight248.21
XLogP33.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Exact Mass248.06023127
Monoisotopic Mass248.06023127
Topological Polar Surface Area27.7 Ų
Heavy Atom Count17
Formal Charge0
Complexity181
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