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16195-93-0 | 3-Penten-2-one, 4-(1-piperidinyl)-
CAS No: 16195-93-0 Catalog No: AG001SJH MDL No:
Product Description
Catalog Number:
AG001SJH
Chemical Name:
3-Penten-2-one, 4-(1-piperidinyl)-
CAS Number:
16195-93-0
Molecular Formula:
C10H17NO
Molecular Weight:
167.2481
IUPAC Name:
4-piperidin-1-ylpent-3-en-2-one
InChI:
InChI=1S/C10H17NO/c1-9(8-10(2)12)11-6-4-3-5-7-11/h8H,3-7H2,1-2H3
InChI Key:
KPBWXUYECPIFDF-UHFFFAOYSA-N
SMILES:
CC(=CC(=O)C)N1CCCCC1
Properties
Complexity:
190
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
167.131g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
167.252g/mol
Monoisotopic Mass:
167.131g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.5
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