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6018-28-6 | Arecaidine hydrochloride
CAS No: 6018-28-6 Catalog No: AG0034H6 MDL No:MFCD00051993
Product Description
Catalog Number:
AG0034H6
Chemical Name:
Arecaidine hydrochloride
CAS Number:
6018-28-6
Molecular Formula:
C7H12ClNO2
Molecular Weight:
177.6287
MDL Number:
MFCD00051993
IUPAC Name:
1-methyl-3,6-dihydro-2H-pyridine-5-carboxylic acid;hydrochloride
InChI:
InChI=1S/C7H11NO2.ClH/c1-8-4-2-3-6(5-8)7(9)10;/h3H,2,4-5H2,1H3,(H,9,10);1H
InChI Key:
PIVDNPNYIBGXPL-UHFFFAOYSA-N
SMILES:
CN1CC(=CCC1)C(=O)O.Cl
UNII:
TTP6QLQ4M8
Properties
Complexity:
174
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
177.056g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
177.628g/mol
Monoisotopic Mass:
177.056g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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