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115-89-9 | Phosphoric acid, methyl diphenyl ester
CAS No: 115-89-9 Catalog No: AG000FK9 MDL No:
Product Description
Catalog Number:
AG000FK9
Chemical Name:
Phosphoric acid, methyl diphenyl ester
CAS Number:
115-89-9
Molecular Formula:
C13H13O4P
Molecular Weight:
264.2137
IUPAC Name:
methyl diphenyl phosphate
InChI:
InChI=1S/C13H13O4P/c1-15-18(14,16-12-8-4-2-5-9-12)17-13-10-6-3-7-11-13/h2-11H,1H3
InChI Key:
VOWPVJACXJNHBC-UHFFFAOYSA-N
SMILES:
COP(=O)(Oc1ccccc1)Oc1ccccc1
UNII:
8RU4VED06P
NSC Number:
96635
Properties
Complexity:
259
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
264.055g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
264.217g/mol
Monoisotopic Mass:
264.055g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
44.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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