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143689-23-0 | 1-Hexanol, 6-[bis(4-methoxyphenyl)phenylmethoxy]-, dihydrogen phosphate (9CI)
CAS No: 143689-23-0 Catalog No: AG001I6F MDL No:
Product Description
Catalog Number:
AG001I6F
Chemical Name:
1-Hexanol, 6-[bis(4-methoxyphenyl)phenylmethoxy]-, dihydrogen phosphate (9CI)
CAS Number:
143689-23-0
Molecular Formula:
C27H35O8P
Molecular Weight:
518.5358
IUPAC Name:
6-[bis(4-methoxyphenyl)-phenylmethoxy]hexan-1-ol;phosphoric acid
InChI:
InChI=1S/C27H32O4.H3O4P/c1-29-25-16-12-23(13-17-25)27(22-10-6-5-7-11-22,31-21-9-4-3-8-20-28)24-14-18-26(30-2)19-15-24;1-5(2,3)4/h5-7,10-19,28H,3-4,8-9,20-21H2,1-2H3;(H3,1,2,3,4)
InChI Key:
CCOQTSBFCAPINY-UHFFFAOYSA-N
SMILES:
OP(=O)(O)O.OCCCCCCOC(c1ccc(cc1)OC)(c1ccc(cc1)OC)c1ccccc1
Properties
Complexity:
486
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
518.207g/mol
Formal Charge:
0
Heavy Atom Count:
36
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
518.543g/mol
Monoisotopic Mass:
518.207g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
126A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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