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113580-07-7 | Ethanone, 2-(3,4-dihydroxyphenyl)-1-(1-piperidinyl)-
CAS No: 113580-07-7 Catalog No: AG000921 MDL No:
Product Description
Catalog Number:
AG000921
Chemical Name:
Ethanone, 2-(3,4-dihydroxyphenyl)-1-(1-piperidinyl)-
CAS Number:
113580-07-7
Molecular Formula:
C13H17NO3
Molecular Weight:
235.2790
IUPAC Name:
2-(3,4-dihydroxyphenyl)-1-piperidin-1-ylethanone
InChI:
InChI=1S/C13H17NO3/c15-11-5-4-10(8-12(11)16)9-13(17)14-6-2-1-3-7-14/h4-5,8,15-16H,1-3,6-7,9H2
InChI Key:
HNKCVXQMVUBGTM-UHFFFAOYSA-N
SMILES:
O=C(N1CCCCC1)Cc1ccc(c(c1)O)O
Properties
Complexity:
263
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.121g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
235.283g/mol
Monoisotopic Mass:
235.121g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
60.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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