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878-62-6 | ((5-(HYDROXYMETHYL)-M-DIOXAN-5-YL)METHYL)TRIMETHYLAMMONIUM BROMIDE
CAS No: 878-62-6 Catalog No: AG004G5W MDL No:
Product Description
Catalog Number:
AG004G5W
Chemical Name:
((5-(HYDROXYMETHYL)-M-DIOXAN-5-YL)METHYL)TRIMETHYLAMMONIUM BROMIDE
CAS Number:
878-62-6
Molecular Formula:
C9H20BrNO3
Molecular Weight:
270.1640
IUPAC Name:
[5-(hydroxymethyl)-1,3-dioxan-5-yl]methyl-trimethylazanium;bromide
InChI:
InChI=1S/C9H20NO3.BrH/c1-10(2,3)4-9(5-11)6-12-8-13-7-9;/h11H,4-8H2,1-3H3;1H/q+1;/p-1
InChI Key:
QPZCOIFHUDVBBR-UHFFFAOYSA-M
SMILES:
OCC1(COCOC1)C[N+](C)(C)C.[Br-]
Properties
Complexity:
159
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
269.063g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
270.167g/mol
Monoisotopic Mass:
269.063g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
38.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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