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30862-35-2 | Sulfuric acid, monooctyl ester, compd. with 2-aminoethanol (1:1)
CAS No: 30862-35-2 Catalog No: AG0031IJ MDL No:
Product Description
Catalog Number:
AG0031IJ
Chemical Name:
Sulfuric acid, monooctyl ester, compd. with 2-aminoethanol (1:1)
CAS Number:
30862-35-2
Molecular Formula:
C10H25NO5S
Molecular Weight:
271.3742
IUPAC Name:
2-aminoethanol;octyl hydrogen sulfate
InChI:
InChI=1S/C8H18O4S.C2H7NO/c1-2-3-4-5-6-7-8-12-13(9,10)11;3-1-2-4/h2-8H2,1H3,(H,9,10,11);4H,1-3H2
InChI Key:
IEHXRVXDZGSPOC-UHFFFAOYSA-N
SMILES:
CCCCCCCCOS(=O)(=O)O.OCCN
EC Number:
250-365-7
Properties
Complexity:
203
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
271.145g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
271.372g/mol
Monoisotopic Mass:
271.145g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
118A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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