4-Nitroheptanedial - CAS 147189-43-3
Catalog: |
BB058764 |
Product Name: |
4-Nitroheptanedial |
CAS: |
147189-43-3 |
Synonyms: |
4-nitroheptanedial; 4-Nitro heptanedial; 4-Nitro-heptanedial |
IUPAC Name: | 4-nitroheptanedial |
Description: | 4-Nitroheptanedial is a reactant in the synthesis of indoles alkyl- substituted in the benzene ring. |
Molecular Weight: | 173.17 |
Molecular Formula: | C7H11NO4 |
Canonical SMILES: | C(CC(CCC=O)[N+](=O)[O-])C=O |
InChI: | InChI=1S/C7H11NO4/c9-5-1-3-7(8(11)12)4-2-6-10/h5-7H,1-4H2 |
InChI Key: | BFQQCOKRCLPJFF-UHFFFAOYSA-N |
References: | Utsunomiya, I., et al. Chem. Pharm. Bull., 40, 2358-61 (1992). |
Complexity: | 151 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 173.06880783 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 173.06880783 |
Rotatable Bond Count: | 6 |
Topological Polar Surface Area: | 80Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.4 |
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