2-Butenoic acid, 1,1'-anhydride
TL;DR: 2-Butenoic acid, 1,1'-anhydride (CAS 623-68-7) is a chemical compound with molecular formula C8H10O3 and molecular weight 154.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
but-2-enoyl but-2-enoate
Also Known As: CROTONIC ANHYDRIDE, But-2-enoic anhydride, Crotonicanhydride, Butensaureanhydrid, but-2-enoyl but-2-enoate
| Molecular Formula | C8H10O3 |
|---|---|
| Molecular Weight | 154.06 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 154.06299 |
| Heavy Atoms | 11 |
| Complexity | 179.0 |
| Melting Point | 72 °C |
| Boiling Point | 246-248 °C @ 766 MM HG |
| Density | 1.0397 @ 20 °C |
| Solubility | SOL IN ETHER |
| Refractive Index | 1.4745 @ 20 °C; SADTLER REFERENCE NUMBER: 17150 (IR, PRISM); 10049 (IR, GRATING); 4494 (NMR) |
Chemical Identifiers
| CAS Number | 623-68-7 |
|---|---|
| SMILES | CC=CC(=O)OC(=O)C=CC |
| InChIKey | VJDDQSBNUHLBTD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 19 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Butenoic acid, 1,1'-anhydride (CAS 623-68-7), with molecular formula C8H10O3 and molecular weight 154.06 g/mol. IUPAC: but-2-enoyl but-2-enoate.
Chemical Property Profile of 2-Butenoic acid, 1,1'-anhydride
Property Insights of 2-Butenoic acid, 1,1'-anhydride
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Butenoic acid, 1,1'-anhydride. With a topological polar surface area (TPSA) of 43.4 Ų, 2-Butenoic acid, 1,1'-anhydride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Butenoic acid, 1,1'-anhydride has 0 hydrogen bond donor(s) and 3 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 2-Butenoic acid, 1,1'-anhydride?
The CAS number of 2-Butenoic acid, 1,1'-anhydride is 623-68-7.
What is the molecular formula of 2-Butenoic acid, 1,1'-anhydride?
The molecular formula of 2-Butenoic acid, 1,1'-anhydride is C8H10O3.
What is the molecular weight of 2-Butenoic acid, 1,1'-anhydride?
The molecular weight of 2-Butenoic acid, 1,1'-anhydride is 154.06 g/mol.
Where can I buy 2-Butenoic acid, 1,1'-anhydride?
You can request a quote for 2-Butenoic acid, 1,1'-anhydride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Butenoic acid, 1,1'-anhydride?
Yes, KEHONG BIO provides custom synthesis services for 2-Butenoic acid, 1,1'-anhydride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.