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132649-26-4 | Phosphoric acid, 4-hydroxybutyl diphenyl ester
CAS No: 132649-26-4 Catalog No: AG0010Y7 MDL No:
Product Description
Catalog Number:
AG0010Y7
Chemical Name:
Phosphoric acid, 4-hydroxybutyl diphenyl ester
CAS Number:
132649-26-4
Molecular Formula:
C16H19O5P
Molecular Weight:
322.2928
IUPAC Name:
4-hydroxybutyl diphenyl phosphate
InChI:
InChI=1S/C16H19O5P/c17-13-7-8-14-19-22(18,20-15-9-3-1-4-10-15)21-16-11-5-2-6-12-16/h1-6,9-12,17H,7-8,13-14H2
InChI Key:
AJXKKVKPCKGZNA-UHFFFAOYSA-N
SMILES:
OCCCCOP(=O)(Oc1ccccc1)Oc1ccccc1
Properties
Complexity:
313
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
322.097g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
322.297g/mol
Monoisotopic Mass:
322.097g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
65A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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