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29660-68-2 | Phosphoric acid, dimethylphenyl diphenyl ester
CAS No: 29660-68-2 Catalog No: AG002QOE MDL No:
Product Description
Catalog Number:
AG002QOE
Chemical Name:
Phosphoric acid, dimethylphenyl diphenyl ester
CAS Number:
29660-68-2
Molecular Formula:
C20H19O4P
Molecular Weight:
354.3362
IUPAC Name:
(2,3-dimethylphenyl) diphenyl phosphate
InChI:
InChI=1S/C20H19O4P/c1-16-10-9-15-20(17(16)2)24-25(21,22-18-11-5-3-6-12-18)23-19-13-7-4-8-14-19/h3-15H,1-2H3
InChI Key:
FSBFENGFYVITPO-UHFFFAOYSA-N
SMILES:
Cc1c(C)cccc1OP(=O)(Oc1ccccc1)Oc1ccccc1
EC Number:
249-759-1
Properties
Complexity:
419
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
354.102g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
354.342g/mol
Monoisotopic Mass:
354.102g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
44.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.7
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