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164650-58-2 | Piperidine, 4-(phenylmethylene)-
CAS No: 164650-58-2 Catalog No: AG001V0G MDL No:MFCD20664129
Product Description
Catalog Number:
AG001V0G
Chemical Name:
Piperidine, 4-(phenylmethylene)-
CAS Number:
164650-58-2
Molecular Formula:
C12H15N
Molecular Weight:
173.2542
MDL Number:
MFCD20664129
IUPAC Name:
4-benzylidenepiperidine
InChI:
InChI=1S/C12H15N/c1-2-4-11(5-3-1)10-12-6-8-13-9-7-12/h1-5,10,13H,6-9H2
InChI Key:
QMQNIKYRPSFQKB-UHFFFAOYSA-N
SMILES:
N1CCC(=Cc2ccccc2)CC1
Properties
Complexity:
170
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
173.12g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
173.259g/mol
Monoisotopic Mass:
173.12g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
12A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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