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41661-55-6 | 1-(2-furylmethyl)piperidin-4-one
CAS No: 41661-55-6 Catalog No: AG00C87M MDL No:MFCD08059718
Product Description
Catalog Number:
AG00C87M
Chemical Name:
1-(2-furylmethyl)piperidin-4-one
CAS Number:
41661-55-6
Molecular Formula:
C10H13NO2
Molecular Weight:
179.2157
MDL Number:
MFCD08059718
IUPAC Name:
1-(furan-2-ylmethyl)piperidin-4-one
InChI:
InChI=1S/C10H13NO2/c12-9-3-5-11(6-4-9)8-10-2-1-7-13-10/h1-2,7H,3-6,8H2
InChI Key:
HPGJGAKKRDVUJA-UHFFFAOYSA-N
SMILES:
O=C1CCN(CC1)Cc1ccco1
Properties
Complexity:
183
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
179.095g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
179.219g/mol
Monoisotopic Mass:
179.095g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
33.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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