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144465-00-9 | 2-Octanol, sulfate (2:1) (9CI)
CAS No: 144465-00-9 Catalog No: AG001JL8 MDL No:
Product Description
Catalog Number:
AG001JL8
Chemical Name:
2-Octanol, sulfate (2:1) (9CI)
CAS Number:
144465-00-9
Molecular Formula:
C16H38O6S
Molecular Weight:
358.5343
IUPAC Name:
octan-2-ol;sulfuric acid
InChI:
InChI=1S/2C8H18O.H2O4S/c2*1-3-4-5-6-7-8(2)9;1-5(2,3)4/h2*8-9H,3-7H2,1-2H3;(H2,1,2,3,4)
InChI Key:
LBWDZYPTKYGNEL-UHFFFAOYSA-N
SMILES:
OS(=O)(=O)O.CCCCCCC(O)C.CCCCCCC(O)C
Properties
Complexity:
134
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
358.239g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
358.534g/mol
Monoisotopic Mass:
358.239g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
123A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
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