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Home > Nitro Compounds > 89080-73-9
89080-73-9 | 2-Pyrrolidinone, 1-(2,2-dimethyl-6-nitro-2H-1-benzopyran-4-yl)-
CAS No: 89080-73-9 Catalog No: AG0040BU MDL No:
Product Description
Catalog Number:
AG0040BU
Chemical Name:
2-Pyrrolidinone, 1-(2,2-dimethyl-6-nitro-2H-1-benzopyran-4-yl)-
CAS Number:
89080-73-9
Molecular Formula:
C15H16N2O4
Molecular Weight:
288.2985
IUPAC Name:
1-(2,2-dimethyl-6-nitrochromen-4-yl)pyrrolidin-2-one
InChI:
InChI=1S/C15H16N2O4/c1-15(2)9-12(16-7-3-4-14(16)18)11-8-10(17(19)20)5-6-13(11)21-15/h5-6,8-9H,3-4,7H2,1-2H3
InChI Key:
JAKUAEJZCYSRHN-UHFFFAOYSA-N
SMILES:
O=C1CCCN1C1=CC(C)(C)Oc2c1cc(cc2)[N+](=O)[O-]
Properties
Complexity:
494
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
288.111g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
288.303g/mol
Monoisotopic Mass:
288.111g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
75.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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