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1245646-02-9 | 2-Piperidinone, 3-iodo-1-[(4-methoxyphenyl)methyl]-
CAS No: 1245646-02-9 Catalog No: AG000MAB MDL No:
Product Description
Catalog Number:
AG000MAB
Chemical Name:
2-Piperidinone, 3-iodo-1-[(4-methoxyphenyl)methyl]-
CAS Number:
1245646-02-9
Molecular Formula:
C13H16INO2
Molecular Weight:
345.1761
IUPAC Name:
3-iodo-1-[(4-methoxyphenyl)methyl]piperidin-2-one
InChI:
InChI=1S/C13H16INO2/c1-17-11-6-4-10(5-7-11)9-15-8-2-3-12(14)13(15)16/h4-7,12H,2-3,8-9H2,1H3
InChI Key:
IZCBEQINRKNTAT-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)CN1CCCC(C1=O)I
Properties
Complexity:
264
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
345.023g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
345.18g/mol
Monoisotopic Mass:
345.023g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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