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88784-37-6 | (S)-3-(3-Methoxyphenyl)piperidine
CAS No: 88784-37-6 Catalog No: AG004AXG MDL No:MFCD03839846
Product Description
Catalog Number:
AG004AXG
Chemical Name:
(S)-3-(3-Methoxyphenyl)piperidine
CAS Number:
88784-37-6
Molecular Formula:
C12H17NO
Molecular Weight:
191.2695
MDL Number:
MFCD03839846
IUPAC Name:
(3S)-3-(3-methoxyphenyl)piperidine
InChI:
InChI=1S/C12H17NO/c1-14-12-6-2-4-10(8-12)11-5-3-7-13-9-11/h2,4,6,8,11,13H,3,5,7,9H2,1H3/t11-/m1/s1
InChI Key:
LXCUAFVVTHZALS-LLVKDONJSA-N
SMILES:
COc1cccc(c1)[C@@H]1CCCNC1
Properties
Complexity:
172
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
191.131g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
191.274g/mol
Monoisotopic Mass:
191.131g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
21.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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