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Home > Nitro Compounds > 88767-03-7
88767-03-7 | 2H-Pyrrol-2-one, 3-ethoxy-1,5-dihydro-1-(1-methylethyl)-4-nitro-
CAS No: 88767-03-7 Catalog No: AG004BG0 MDL No:
Product Description
Catalog Number:
AG004BG0
Chemical Name:
2H-Pyrrol-2-one, 3-ethoxy-1,5-dihydro-1-(1-methylethyl)-4-nitro-
CAS Number:
88767-03-7
Molecular Formula:
C9H14N2O4
Molecular Weight:
214.2185
IUPAC Name:
4-ethoxy-3-nitro-1-propan-2-yl-2H-pyrrol-5-one
InChI:
InChI=1S/C9H14N2O4/c1-4-15-8-7(11(13)14)5-10(6(2)3)9(8)12/h6H,4-5H2,1-3H3
InChI Key:
ZCINFQNVNLHJOV-UHFFFAOYSA-N
SMILES:
CCOC1=C(CN(C1=O)C(C)C)[N+](=O)[O-]
Properties
Complexity:
317
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
214.095g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
214.221g/mol
Monoisotopic Mass:
214.095g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
75.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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