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80031-00-1 | 2-Propen-1-one, 1-(2-hydroxy-5-methylphenyl)-3-(1-piperidinyl)-, (E)-
CAS No: 80031-00-1 Catalog No: AG0055GS MDL No:
Product Description
Catalog Number:
AG0055GS
Chemical Name:
2-Propen-1-one, 1-(2-hydroxy-5-methylphenyl)-3-(1-piperidinyl)-, (E)-
CAS Number:
80031-00-1
Molecular Formula:
C15H19NO2
Molecular Weight:
245.3169
IUPAC Name:
1-(2-hydroxy-5-methylphenyl)-3-piperidin-1-ylprop-2-en-1-one
InChI:
InChI=1S/C15H19NO2/c1-12-5-6-14(17)13(11-12)15(18)7-10-16-8-3-2-4-9-16/h5-7,10-11,17H,2-4,8-9H2,1H3
InChI Key:
ASCVHOXXKXSOLV-UHFFFAOYSA-N
SMILES:
O=C(c1cc(C)ccc1O)/C=C/N1CCCCC1
Properties
Complexity:
308
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.142g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
245.322g/mol
Monoisotopic Mass:
245.142g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.4
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