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1220040-26-5 | 3-Piperidinecarboxylic acid, 2-methyl-, hydrochloride (1:1)
CAS No: 1220040-26-5 Catalog No: AG0016LH MDL No:MFCD15474934
Product Description
Catalog Number:
AG0016LH
Chemical Name:
3-Piperidinecarboxylic acid, 2-methyl-, hydrochloride (1:1)
CAS Number:
1220040-26-5
Molecular Formula:
C7H14ClNO2
Molecular Weight:
179.6446
MDL Number:
MFCD15474934
IUPAC Name:
2-methylpiperidine-3-carboxylic acid;hydrochloride
InChI:
InChI=1S/C7H13NO2.ClH/c1-5-6(7(9)10)3-2-4-8-5;/h5-6,8H,2-4H2,1H3,(H,9,10);1H
InChI Key:
JFNYEWGRLZUUDY-UHFFFAOYSA-N
SMILES:
CC1NCCCC1C(=O)O.Cl
Properties
Complexity:
136
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:
2
Undefined Bond Stereocenter Count:
0
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