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Home > Nitro Compounds > 1820570-48-6
1820570-48-6 | 6-(furan-2-yl)-5-nitropiperidin-2-one, trans
CAS No: 1820570-48-6 Catalog No: AG01BASW MDL No:MFCD28397734
Product Description
Catalog Number:
AG01BASW
Chemical Name:
6-(furan-2-yl)-5-nitropiperidin-2-one, trans
CAS Number:
1820570-48-6
Molecular Formula:
C9H10N2O4
Molecular Weight:
210.1867
MDL Number:
MFCD28397734
IUPAC Name:
(5S,6S)-6-(furan-2-yl)-5-nitropiperidin-2-one
InChI:
InChI=1S/C9H10N2O4/c12-8-4-3-6(11(13)14)9(10-8)7-2-1-5-15-7/h1-2,5-6,9H,3-4H2,(H,10,12)/t6-,9-/m0/s1
InChI Key:
XGPOTQVNDBYTKG-RCOVLWMOSA-N
SMILES:
O=C1CC[C@@H]([C@H](N1)c1ccco1)[N+](=O)[O-]
Properties
Complexity:
276
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
210.064g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
210.189g/mol
Monoisotopic Mass:
210.064g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
88.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
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