Malononitrile, (5-nitrovanillylidene)-
TL;DR: Malononitrile, (5-nitrovanillylidene)- (CAS 101756-38-1) is a chemical compound with molecular formula C11H7N3O4 and molecular weight 245.04366 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[(4-hydroxy-3-methoxy-5-nitrophenyl)methylidene]propanedinitrile
Also Known As: 5-Nitrovanillylidenemalononitrile, MALONONITRILE, (5-NITROVANILLYLIDENE)-, benzylidenemalononitrile (BMN) deriv. 17, 2-[(4-hydroxy-3-methoxy-5-nitrophenyl)methylidene]propanedinitrile, (4-hydroxy-3-methoxy-5-nitrobenzylidene)malononitrile
Technical Specifications
| Molecular Formula | C11H7N3O4 |
| Molecular Weight | 245.04366 g/mol |
| XLogP | 2.0 |
| Topological Polar Surface Area (TPSA) | 123.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 245.04366 Da |
| Heavy Atoms | 18 |
| Complexity | 432.0 |
| SMILES | COC1=CC(=CC(=C1O)[N+](=O)[O-])C=C(C#N)C#N |
| InChIKey | CWOXUSIEQFFVBX-UHFFFAOYSA-N |
Chemical Property Profile of Malononitrile, (5-nitrovanillylidene)-
Property Insights of Malononitrile, (5-nitrovanillylidene)-
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Malononitrile, (5-nitrovanillylidene)-. The TPSA of 123.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Malononitrile, (5-nitrovanillylidene)-. Following Lipinski's Rule of Five, Malononitrile, (5-nitrovanillylidene)- has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Malononitrile, (5-nitrovanillylidene)-?
The CAS number of Malononitrile, (5-nitrovanillylidene)- is 101756-38-1.
What is the molecular formula of Malononitrile, (5-nitrovanillylidene)-?
The molecular formula of Malononitrile, (5-nitrovanillylidene)- is C11H7N3O4.
What is the molecular weight of Malononitrile, (5-nitrovanillylidene)-?
The molecular weight of Malononitrile, (5-nitrovanillylidene)- is 245.04366 g/mol.
Where can I buy Malononitrile, (5-nitrovanillylidene)-?
You can request a quote for Malononitrile, (5-nitrovanillylidene)- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Malononitrile, (5-nitrovanillylidene)-?
Yes, CoreyChem provides custom synthesis services for Malononitrile, (5-nitrovanillylidene)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.