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102014-40-4 | 3,3-Piperidinediol, 1-methyl-, hydrochloride (1:1)
CAS No: 102014-40-4 Catalog No: AG0006CA MDL No:
Product Description
Catalog Number:
AG0006CA
Chemical Name:
3,3-Piperidinediol, 1-methyl-, hydrochloride (1:1)
CAS Number:
102014-40-4
Molecular Formula:
C6H14ClNO2
Molecular Weight:
167.6339
IUPAC Name:
1-methylpiperidine-3,3-diol;hydrochloride
InChI:
InChI=1S/C6H13NO2.ClH/c1-7-4-2-3-6(8,9)5-7;/h8-9H,2-5H2,1H3;1H
InChI Key:
VCWCYIJABFLQLG-UHFFFAOYSA-N
SMILES:
CN1CCCC(C1)(O)O.Cl
Properties
Complexity:
103
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
167.071g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
167.633g/mol
Monoisotopic Mass:
167.071g/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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