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1255651-12-7 | 3-Piperidinecarboxylic acid, methyl ester, hydrochloride (1:1), (3R)-
CAS No: 1255651-12-7 Catalog No: AG000NVX MDL No:MFCD08274539
Product Description
Catalog Number:
AG000NVX
Chemical Name:
3-Piperidinecarboxylic acid, methyl ester, hydrochloride (1:1), (3R)-
CAS Number:
1255651-12-7
Molecular Formula:
C7H14ClNO2
Molecular Weight:
179.6446
MDL Number:
MFCD08274539
IUPAC Name:
methyl (3R)-piperidine-3-carboxylate;hydrochloride
InChI:
InChI=1S/C7H13NO2.ClH/c1-10-7(9)6-3-2-4-8-5-6;/h6,8H,2-5H2,1H3;1H/t6-;/m1./s1
InChI Key:
BQQZKNAQDKIGGZ-FYZOBXCZSA-N
SMILES:
COC(=O)[C@@H]1CCCNC1.Cl
Properties
Complexity:
125
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
1
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:
2
Isotope Atom Count:
0
Molecular Weight:
179.644g/mol
Monoisotopic Mass:
179.071g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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