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Home > Nitro Compounds > 1245649-35-7
1245649-35-7 | 2-Pyrrolidinone, 1-[2-(4-nitrophenoxy)ethyl]-
CAS No: 1245649-35-7 Catalog No: AG000MDF MDL No:
Product Description
Catalog Number:
AG000MDF
Chemical Name:
2-Pyrrolidinone, 1-[2-(4-nitrophenoxy)ethyl]-
CAS Number:
1245649-35-7
Molecular Formula:
C12H14N2O4
Molecular Weight:
250.2506
IUPAC Name:
1-[2-(4-nitrophenoxy)ethyl]pyrrolidin-2-one
InChI:
InChI=1S/C12H14N2O4/c15-12-2-1-7-13(12)8-9-18-11-5-3-10(4-6-11)14(16)17/h3-6H,1-2,7-9H2
InChI Key:
MMZNWAYUIBMENR-UHFFFAOYSA-N
SMILES:
O=C1CCCN1CCOc1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
308
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.095g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
250.254g/mol
Monoisotopic Mass:
250.095g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
75.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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