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12789-45-6 | Phosphoric acid, methyl ester
CAS No: 12789-45-6 Catalog No: AG000XIQ MDL No:
Product Description
Catalog Number:
AG000XIQ
Chemical Name:
Phosphoric acid, methyl ester
CAS Number:
12789-45-6
Molecular Formula:
CH3O4P--
Molecular Weight:
110.0059
IUPAC Name:
methyl dihydrogen phosphate
InChI:
InChI=1S/CH5O4P/c1-5-6(2,3)4/h1H3,(H2,2,3,4)
InChI Key:
CAAULPUQFIIOTL-UHFFFAOYSA-N
SMILES:
COP(=O)([O-])[O-]
NSC Number:
41908
RTECS Number:
TC6594000
Properties
Complexity:
71.6
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
111.993g/mol
Formal Charge:
0
Heavy Atom Count:
6
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
112.021g/mol
Monoisotopic Mass:
111.993g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.6
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