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22987-28-6 | Phosphoric acid, mono(3-methylphenyl) ester
CAS No: 22987-28-6 Catalog No: AG002LS7 MDL No:
Product Description
Catalog Number:
AG002LS7
Chemical Name:
Phosphoric acid, mono(3-methylphenyl) ester
CAS Number:
22987-28-6
Molecular Formula:
C7H7O4P--
Molecular Weight:
186.1018
IUPAC Name:
(3-methylphenyl) phosphate
InChI:
InChI=1S/C7H9O4P/c1-6-3-2-4-7(5-6)11-12(8,9)10/h2-5H,1H3,(H2,8,9,10)/p-2
InChI Key:
GZELFOWMRSGSTI-UHFFFAOYSA-L
SMILES:
Cc1cccc(c1)OP(=O)([O-])[O-]
Properties
Complexity:
176
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.008g/mol
Formal Charge:
-2
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
186.103g/mol
Monoisotopic Mass:
186.008g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
72.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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