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7153-12-0 | Phosphoric acid,dimethyl ester, ester with benzoin (7CI,8CI)
CAS No: 7153-12-0 Catalog No: AG005H3V MDL No:
Product Description
Catalog Number:
AG005H3V
Chemical Name:
Phosphoric acid,dimethyl ester, ester with benzoin (7CI,8CI)
CAS Number:
7153-12-0
Molecular Formula:
C16H17O5P
Molecular Weight:
320.2769
IUPAC Name:
dimethyl (2-oxo-1,2-diphenylethyl) phosphate
InChI:
InChI=1S/C16H17O5P/c1-19-22(18,20-2)21-16(14-11-7-4-8-12-14)15(17)13-9-5-3-6-10-13/h3-12,16H,1-2H3
InChI Key:
IWZCVLNJYYISAM-UHFFFAOYSA-N
SMILES:
COP(=O)(OC(C(=O)c1ccccc1)c1ccccc1)OC
NSC Number:
58989
Properties
Complexity:
391
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
320.081g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
320.281g/mol
Monoisotopic Mass:
320.081g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
61.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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