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116140-22-8 | 3-Piperidinecarboxylic acid, 3-methyl-, hydrochloride (1:1)
CAS No: 116140-22-8 Catalog No: AG000BQ7 MDL No:MFCD20441739
Product Description
Catalog Number:
AG000BQ7
Chemical Name:
3-Piperidinecarboxylic acid, 3-methyl-, hydrochloride (1:1)
CAS Number:
116140-22-8
Molecular Formula:
C7H14ClNO2
Molecular Weight:
179.6446
MDL Number:
MFCD20441739
IUPAC Name:
3-methylpiperidine-3-carboxylic acid;hydrochloride
InChI:
InChI=1S/C7H13NO2.ClH/c1-7(6(9)10)3-2-4-8-5-7;/h8H,2-5H2,1H3,(H,9,10);1H
InChI Key:
KSMYDSAXTLQXCI-UHFFFAOYSA-N
SMILES:
OC(=O)C1(C)CCCNC1.Cl
Properties
Complexity:
147
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
179.071g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
179.644g/mol
Monoisotopic Mass:
179.071g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
49.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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