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13869-19-7 | Phosphonic acid, bis(4-methylphenyl) ester
CAS No: 13869-19-7 Catalog No: AG00191B MDL No:
Product Description
Catalog Number:
AG00191B
Chemical Name:
Phosphonic acid, bis(4-methylphenyl) ester
CAS Number:
13869-19-7
Molecular Formula:
C14H15O3P
Molecular Weight:
262.2409
IUPAC Name:
bis(4-methylphenoxy)-oxophosphanium
InChI:
InChI=1S/C14H14O3P/c1-11-3-7-13(8-4-11)16-18(15)17-14-9-5-12(2)6-10-14/h3-10H,1-2H3/q+1
InChI Key:
NKTMXKKCADFXKO-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)OP(=O)Oc1ccc(cc1)C
Properties
Complexity:
240
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
261.068g/mol
Formal Charge:
1
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
261.237g/mol
Monoisotopic Mass:
261.068g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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