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30453-09-9 | Imidodiphosphoric acid, tetraoctyl ester (8CI,9CI)
CAS No: 30453-09-9 Catalog No: AG003065 MDL No:
Product Description
Catalog Number:
AG003065
Chemical Name:
Imidodiphosphoric acid, tetraoctyl ester (8CI,9CI)
CAS Number:
30453-09-9
Molecular Formula:
C32H69NO6P2
Molecular Weight:
625.8409
IUPAC Name:
1-[(dioctoxyphosphorylamino)-octoxyphosphoryl]oxyoctane
InChI:
InChI=1S/C32H69NO6P2/c1-5-9-13-17-21-25-29-36-40(34,37-30-26-22-18-14-10-6-2)33-41(35,38-31-27-23-19-15-11-7-3)39-32-28-24-20-16-12-8-4/h5-32H2,1-4H3,(H,33,34,35)
InChI Key:
GTRXVAZPBWRJHV-UHFFFAOYSA-N
SMILES:
CCCCCCCCOP(=O)(NP(=O)(OCCCCCCCC)OCCCCCCCC)OCCCCCCCC
Properties
Complexity:
541
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
625.46g/mol
Formal Charge:
0
Heavy Atom Count:
41
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
625.853g/mol
Monoisotopic Mass:
625.46g/mol
Rotatable Bond Count:
34
Topological Polar Surface Area:
83.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
12.3
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