Methyl 4-Nitrobutanoate

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Properties Simple | Detailed

Formula C5H9NO4
IUPAC Name methyl 4-nitrobutanoate
Molecular Mass 147.129 g·mol−1
Heat of Formation -457.1 ± 16.7 kJ·mol−1
Dipole Moment 5.40 ± 1.08 D
Volume 174.03 Å 3
Surface Area 181.65 Å 2
HOMO Energy -11.10 ± 0.55 eV
LUMO Energy 2.83 ± eV
Point Group Symmetry C1
Synonyms
  • 4-nitrobutanoic acid methyl ester
  • 4-nitrobutyric acid methyl ester
  • butanoic acid, 4-nitro-, methyl ester
  • butanoic acid, 4-nitro-, methyl ester (9ci)
  • butyric acid, 4-nitro-, methyl ester
  • methyl 4-nitrobutyrate
  • zero/005216
CAS Number(s)
  • 13013-02-0
InChIKey UBSPKGKFFQKZJB-UHFFFAOYSA-N
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