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100369-07-1 | Piperidine, 1-methyl-3-phenoxy-
CAS No: 100369-07-1 Catalog No: AG0001QC MDL No:
Product Description
Catalog Number:
AG0001QC
Chemical Name:
Piperidine, 1-methyl-3-phenoxy-
CAS Number:
100369-07-1
Molecular Formula:
C12H17NO
Molecular Weight:
191.2695
IUPAC Name:
1-methyl-3-phenoxypiperidine
InChI:
InChI=1S/C12H17NO/c1-13-9-5-8-12(10-13)14-11-6-3-2-4-7-11/h2-4,6-7,12H,5,8-10H2,1H3
InChI Key:
ZDRSBLWRKCVNAM-UHFFFAOYSA-N
SMILES:
CN1CCCC(C1)Oc1ccccc1
Properties
Complexity:
166
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
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:
0
Isotope Atom Count:
0
Molecular Weight:
191.274g/mol
Monoisotopic Mass:
191.131g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
12.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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