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1009376-67-3 | 3-Piperidinecarboxylic acid, 4-methyl-, methyl ester, hydrochloride (1:1), (3R,4R)-rel-
CAS No: 1009376-67-3 Catalog No: AG00038L MDL No:
Product Description
Catalog Number:
AG00038L
Chemical Name:
3-Piperidinecarboxylic acid, 4-methyl-, methyl ester, hydrochloride (1:1), (3R,4R)-rel-
CAS Number:
1009376-67-3
Molecular Formula:
C8H16ClNO2
Molecular Weight:
193.6711
IUPAC Name:
methyl (3R,4R)-4-methylpiperidine-3-carboxylate;hydrochloride
InChI:
InChI=1S/C8H15NO2.ClH/c1-6-3-4-9-5-7(6)8(10)11-2;/h6-7,9H,3-5H2,1-2H3;1H/t6-,7+;/m1./s1
InChI Key:
QATUSYOQNXADOL-HHQFNNIRSA-N
SMILES:
C[C@@H]1CCNC[C@@H]1C(=O)OC.Cl
Properties
Complexity:
147
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
193.087g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
193.671g/mol
Monoisotopic Mass:
193.087g/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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