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30410-34-5 | Phosphoric acid, monooctyl ester, monosodium salt (8CI,9CI)
CAS No: 30410-34-5 Catalog No: AG003017 MDL No:
Product Description
Catalog Number:
AG003017
Chemical Name:
Phosphoric acid, monooctyl ester, monosodium salt (8CI,9CI)
CAS Number:
30410-34-5
Molecular Formula:
C8H18NaO4P
Molecular Weight:
232.1897
IUPAC Name:
sodium;octyl hydrogen phosphate
InChI:
InChI=1S/C8H19O4P.Na/c1-2-3-4-5-6-7-8-12-13(9,10)11;/h2-8H2,1H3,(H2,9,10,11);/q;+1/p-1
InChI Key:
KOJSOGZMZDBNPG-UHFFFAOYSA-M
SMILES:
CCCCCCCCOP(=O)(O)[O-].[Na+]
Properties
Complexity:
165
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.084g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
232.192g/mol
Monoisotopic Mass:
232.084g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
69.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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