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1009376-81-1 | 3-Piperidinecarboxylic acid, 6-methyl-, methyl ester, (3R,6S)-
CAS No: 1009376-81-1 Catalog No: AG00038H MDL No:
Product Description
Catalog Number:
AG00038H
Chemical Name:
3-Piperidinecarboxylic acid, 6-methyl-, methyl ester, (3R,6S)-
CAS Number:
1009376-81-1
Molecular Formula:
C8H15NO2
Molecular Weight:
157.2102
IUPAC Name:
methyl (3R,6S)-6-methylpiperidine-3-carboxylate
InChI:
InChI=1S/C8H15NO2/c1-6-3-4-7(5-9-6)8(10)11-2/h6-7,9H,3-5H2,1-2H3/t6-,7+/m0/s1
InChI Key:
AJUGGHOVBBTHCD-NKWVEPMBSA-N
SMILES:
COC(=O)[C@@H]1CC[C@@H](NC1)C
Properties
Complexity:
147
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
157.11g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
157.213g/mol
Monoisotopic Mass:
157.11g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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