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128960-04-3 | Piperidine, 1-acetyl-2-ethynyl-, (S)- (9CI)
CAS No: 128960-04-3 Catalog No: AG000YQH MDL No:MFCD09263910
Product Description
Catalog Number:
AG000YQH
Chemical Name:
Piperidine, 1-acetyl-2-ethynyl-, (S)- (9CI)
CAS Number:
128960-04-3
Molecular Formula:
C9H13NO
Molecular Weight:
151.2056
MDL Number:
MFCD09263910
IUPAC Name:
1-[(2S)-2-ethynylpiperidin-1-yl]ethanone
InChI:
InChI=1S/C9H13NO/c1-3-9-6-4-5-7-10(9)8(2)11/h1,9H,4-7H2,2H3/t9-/m1/s1
InChI Key:
GTJWFTSLKATWSH-SECBINFHSA-N
SMILES:
C#C[C@@H]1CCCCN1C(=O)C
Properties
Complexity:
201
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
151.1g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
151.209g/mol
Monoisotopic Mass:
151.1g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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