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114506-99-9 | 3,3-Piperidinediol, 1-methyl-, hydrobromide (1:1)
CAS No: 114506-99-9 Catalog No: AG000ELE MDL No:
Product Description
Catalog Number:
AG000ELE
Chemical Name:
3,3-Piperidinediol, 1-methyl-, hydrobromide (1:1)
CAS Number:
114506-99-9
Molecular Formula:
C6H14BrNO2
Molecular Weight:
212.0849
IUPAC Name:
1-methylpiperidine-3,3-diol;hydrobromide
InChI:
InChI=1S/C6H13NO2.BrH/c1-7-4-2-3-6(8,9)5-7;/h8-9H,2-5H2,1H3;1H
InChI Key:
FDRAZNYIWJFKIW-UHFFFAOYSA-N
SMILES:
CN1CCCC(C1)(O)O.Br
Properties
Complexity:
103
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
211.021g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
212.087g/mol
Monoisotopic Mass:
211.021g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
43.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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