Benzoic acid, 3-(1-formyl-2-oxoethyl)-4-nitro-, hydrate (1:1)
TL;DR: Benzoic acid, 3-(1-formyl-2-oxoethyl)-4-nitro-, hydrate (1:1) (CAS 175276-83-2) is a chemical compound with molecular formula C10H9NO7 and molecular weight 255.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(1,3-dioxopropan-2-yl)-4-nitrobenzoic acid;hydrate
Also Known As: 3-(1,3-dioxopropan-2-yl)-4-nitrobenzoic acid hydrate, 3-(1,3-dioxopropan-2-yl)-4-nitrobenzoic acid;hydrate, 2-(5-Hydroxycarbonyl-2-nitrophenyl)-malondialdehyde monohydrate, Benzoic acid, 3-(1-formyl-2-oxoethyl)-4-nitro-, hydrate (1:1), 2-(5-Carboxy-2-nitrophenyl)malondialdehyde monohydrate
| Molecular Formula | C10H9NO7 |
|---|---|
| Molecular Weight | 255.04 g/mol |
| LogP | -0.0503 |
| Topological Polar Surface Area | 146.08 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 255.0379 |
| Heavy Atoms | 18 |
| Complexity | 488.9996 |
Chemical Identifiers
| CAS Number | 175276-83-2 |
|---|---|
| SMILES | C1=CC(=C(C=C1C(=O)O)C(C=O)C=O)[N+](=O)[O-].O |
Product Overview
Benzoic acid, 3-(1-formyl-2-oxoethyl)-4-nitro-, hydrate (1:1) (CAS 175276-83-2), with molecular formula C10H9NO7 and molecular weight 255.04 g/mol. IUPAC: 3-(1,3-dioxopropan-2-yl)-4-nitrobenzoic acid;hydrate.
Chemical Property Profile of Benzoic acid, 3-(1-formyl-2-oxoethyl)-4-nitro-, hydrate (1:1)
Property Insights of Benzoic acid, 3-(1-formyl-2-oxoethyl)-4-nitro-, hydrate (1:1)
The XLogP value of -0.0503 indicates that Benzoic acid, 3-(1-formyl-2-oxoethyl)-4-nitro-, hydrate (1:1) is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 146.08 Ų indicates high polarity, suggesting Benzoic acid, 3-(1-formyl-2-oxoethyl)-4-nitro-, hydrate (1:1) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Benzoic acid, 3-(1-formyl-2-oxoethyl)-4-nitro-, hydrate (1:1) has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Benzoic acid, 3-(1-formyl-2-oxoethyl)-4-nitro-, hydrate (1:1)?
The CAS number of Benzoic acid, 3-(1-formyl-2-oxoethyl)-4-nitro-, hydrate (1:1) is 175276-83-2.
What is the molecular formula of Benzoic acid, 3-(1-formyl-2-oxoethyl)-4-nitro-, hydrate (1:1)?
The molecular formula of Benzoic acid, 3-(1-formyl-2-oxoethyl)-4-nitro-, hydrate (1:1) is C10H9NO7.
What is the molecular weight of Benzoic acid, 3-(1-formyl-2-oxoethyl)-4-nitro-, hydrate (1:1)?
The molecular weight of Benzoic acid, 3-(1-formyl-2-oxoethyl)-4-nitro-, hydrate (1:1) is 255.04 g/mol.
Where can I buy Benzoic acid, 3-(1-formyl-2-oxoethyl)-4-nitro-, hydrate (1:1)?
You can request a quote for Benzoic acid, 3-(1-formyl-2-oxoethyl)-4-nitro-, hydrate (1:1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoic acid, 3-(1-formyl-2-oxoethyl)-4-nitro-, hydrate (1:1)?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 3-(1-formyl-2-oxoethyl)-4-nitro-, hydrate (1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.