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18110-43-5 | Phosphoric acid, mono(2-phenylethyl) ester
CAS No: 18110-43-5 Catalog No: AG0022OB MDL No:
Product Description
Catalog Number:
AG0022OB
Chemical Name:
Phosphoric acid, mono(2-phenylethyl) ester
CAS Number:
18110-43-5
Molecular Formula:
C8H9O4P--
Molecular Weight:
200.1284
IUPAC Name:
2-phenylethyl phosphate
InChI:
InChI=1S/C8H11O4P/c9-13(10,11)12-7-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H2,9,10,11)/p-2
InChI Key:
ZZMQTTUJZFEWMD-UHFFFAOYSA-L
SMILES:
[O-]P(=O)(OCCc1ccccc1)[O-]
Properties
Complexity:
171
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
200.024g/mol
Formal Charge:
-2
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
200.13g/mol
Monoisotopic Mass:
200.024g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
72.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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