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Home > Nitro Compounds > 869947-97-7
869947-97-7 | 1-(3,5-dimethyl-4-nitrophenyl)pyrrolidin-2-one
CAS No: 869947-97-7 Catalog No: AG00JGSQ MDL No:MFCD03196988
Product Description
Catalog Number:
AG00JGSQ
Chemical Name:
1-(3,5-dimethyl-4-nitrophenyl)pyrrolidin-2-one
CAS Number:
869947-97-7
Molecular Formula:
C12H14N2O3
Molecular Weight:
234.2512
MDL Number:
MFCD03196988
IUPAC Name:
1-(3,5-dimethyl-4-nitrophenyl)pyrrolidin-2-one
InChI:
InChI=1S/C12H14N2O3/c1-8-6-10(13-5-3-4-11(13)15)7-9(2)12(8)14(16)17/h6-7H,3-5H2,1-2H3
InChI Key:
URSSDPBLVVXSCF-UHFFFAOYSA-N
SMILES:
O=C1CCCN1c1cc(C)c(c(c1)C)[N+](=O)[O-]
Properties
Complexity:
314
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.1g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
234.255g/mol
Monoisotopic Mass:
234.1g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
66.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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