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16462-76-3 | Phosphoric acid, diethyl 4-(1-methylethyl)phenyl ester
CAS No: 16462-76-3 Catalog No: AG001UZY MDL No:
Product Description
Catalog Number:
AG001UZY
Chemical Name:
Phosphoric acid, diethyl 4-(1-methylethyl)phenyl ester
CAS Number:
16462-76-3
Molecular Formula:
C13H21O4P
Molecular Weight:
272.2772
IUPAC Name:
diethyl (4-propan-2-ylphenyl) phosphate
InChI:
InChI=1S/C13H21O4P/c1-5-15-18(14,16-6-2)17-13-9-7-12(8-10-13)11(3)4/h7-11H,5-6H2,1-4H3
InChI Key:
SSZYPXOZRNWJER-UHFFFAOYSA-N
SMILES:
CCOP(=O)(Oc1ccc(cc1)C(C)C)OCC
Properties
Complexity:
262
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
272.118g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
272.281g/mol
Monoisotopic Mass:
272.118g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
44.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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