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234757-27-8 | 4-Piperidinone, 1-(phenylmethyl)-3-[(triphenylmethoxy)methyl]-
CAS No: 234757-27-8 Catalog No: AG002NCM MDL No:MFCD11112087
Product Description
Catalog Number:
AG002NCM
Chemical Name:
4-Piperidinone, 1-(phenylmethyl)-3-[(triphenylmethoxy)methyl]-
CAS Number:
234757-27-8
Molecular Formula:
C32H31NO2
Molecular Weight:
461.5940
MDL Number:
MFCD11112087
IUPAC Name:
1-benzyl-3-(trityloxymethyl)piperidin-4-one
InChI:
InChI=1S/C32H31NO2/c34-31-21-22-33(23-26-13-5-1-6-14-26)24-27(31)25-35-32(28-15-7-2-8-16-28,29-17-9-3-10-18-29)30-19-11-4-12-20-30/h1-20,27H,21-25H2
InChI Key:
XKHKBVKPGDXSPY-UHFFFAOYSA-N
SMILES:
O=C1CCN(CC1COC(c1ccccc1)(c1ccccc1)c1ccccc1)Cc1ccccc1
Properties
Complexity:
592
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
461.235g/mol
Formal Charge:
0
Heavy Atom Count:
35
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
461.605g/mol
Monoisotopic Mass:
461.235g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
5.8
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