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1154970-04-3 | Methanone, (2,3-dihydro-1,4-benzodioxin-5-yl)[2-(hydroxymethyl)-1-piperidinyl]-
CAS No: 1154970-04-3 Catalog No: AG000G24 MDL No:MFCD13740742
Product Description
Catalog Number:
AG000G24
Chemical Name:
Methanone, (2,3-dihydro-1,4-benzodioxin-5-yl)[2-(hydroxymethyl)-1-piperidinyl]-
CAS Number:
1154970-04-3
Molecular Formula:
C15H19NO4
Molecular Weight:
277.3157
MDL Number:
MFCD13740742
IUPAC Name:
2,3-dihydro-1,4-benzodioxin-5-yl-[2-(hydroxymethyl)piperidin-1-yl]methanone
InChI:
InChI=1S/C15H19NO4/c17-10-11-4-1-2-7-16(11)15(18)12-5-3-6-13-14(12)20-9-8-19-13/h3,5-6,11,17H,1-2,4,7-10H2
InChI Key:
XODLFDZGZGTPAK-UHFFFAOYSA-N
SMILES:
OCC1CCCCN1C(=O)c1cccc2c1OCCO2
Properties
Complexity:
349
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
277.131g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
277.32g/mol
Monoisotopic Mass:
277.131g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
59A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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