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18350-99-7 | Phenol, 2,6-dimethyl-, 1,1'-(hydrogen phosphate)
CAS No: 18350-99-7 Catalog No: AG0027MW MDL No:
Product Description
Catalog Number:
AG0027MW
Chemical Name:
Phenol, 2,6-dimethyl-, 1,1'-(hydrogen phosphate)
CAS Number:
18350-99-7
Molecular Formula:
C16H19O4P
Molecular Weight:
306.2934
IUPAC Name:
bis(2,6-dimethylphenyl) hydrogen phosphate
InChI:
InChI=1S/C16H19O4P/c1-11-7-5-8-12(2)15(11)19-21(17,18)20-16-13(3)9-6-10-14(16)4/h5-10H,1-4H3,(H,17,18)
InChI Key:
APOXBWCRUPJDAC-UHFFFAOYSA-N
SMILES:
Cc1cccc(c1OP(=O)(Oc1c(C)cccc1C)O)C
Properties
Complexity:
335
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
306.102g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
306.298g/mol
Monoisotopic Mass:
306.102g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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