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88371-85-1 | Phosphoric acid,bis[2-(hydroxymethyl)phenyl] 2-methylphenyl ester
CAS No: 88371-85-1 Catalog No: AG004ITK MDL No:
Product Description
Catalog Number:
AG004ITK
Chemical Name:
Phosphoric acid,bis[2-(hydroxymethyl)phenyl] 2-methylphenyl ester
CAS Number:
88371-85-1
Molecular Formula:
C21H21O6P
Molecular Weight:
400.3616
IUPAC Name:
bis[2-(hydroxymethyl)phenyl] (2-methylphenyl) phosphate
InChI:
InChI=1S/C21H21O6P/c1-16-8-2-5-11-19(16)25-28(24,26-20-12-6-3-9-17(20)14-22)27-21-13-7-4-10-18(21)15-23/h2-13,22-23H,14-15H2,1H3
InChI Key:
ORNUBRGYLLHFAK-UHFFFAOYSA-N
SMILES:
OCc1ccccc1OP(=O)(Oc1ccccc1CO)Oc1ccccc1C
Properties
Complexity:
485
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
400.108g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
400.367g/mol
Monoisotopic Mass:
400.108g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
85.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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