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Home > Nitro Compounds > 31898-87-0
31898-87-0 | 4-(4-nitrophenoxy)azetidin-2-one
CAS No: 31898-87-0 Catalog No: AG01ANCP MDL No:MFCD12406971
Product Description
Catalog Number:
AG01ANCP
Chemical Name:
4-(4-nitrophenoxy)azetidin-2-one
CAS Number:
31898-87-0
Molecular Formula:
C9H8N2O4
Molecular Weight:
208.1708
MDL Number:
MFCD12406971
IUPAC Name:
4-(4-nitrophenoxy)azetidin-2-one
InChI:
InChI=1S/C9H8N2O4/c12-8-5-9(10-8)15-7-3-1-6(2-4-7)11(13)14/h1-4,9H,5H2,(H,10,12)
InChI Key:
FZKCDUYSEXXUPD-UHFFFAOYSA-N
SMILES:
O=C1CC(N1)Oc1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
268
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.048g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
208.173g/mol
Monoisotopic Mass:
208.048g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
84.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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