| CAS Number | 94856-25-4 |
| Catalog Number | AG00IILE(AGN-PC-0W4HB7) |
| Chemical Name | 2,5-Furandione,3-[1-(2,5-dimethyl-3-furanyl)ethylidene]dihydro-4-tricyclo[3.3.1.13,7]decylidene-, (E)- |
| IUPAC Name | (4E)-3-(2-adamantylidene)-4-[1-(2,5-dimethylfuran-3-yl)ethylidene]oxolane-2,5-dione |
| InChI | InChI=1S/C22H24O4/c1-10-4-17(12(3)25-10)11(2)18-20(22(24)26-21(18)23)19-15-6-13-5-14(8-15)9-16(19)7-13/h4,13-16H,5-9H2,1-3H3/b18-11+,20-19? |
| InChI Key | OOVNPWVABCFZRY-HJJJESHSSA-N |
| MDL Number | MFCD07368579 |
| Molecular Formula | C22H24O4 |
| Molecular Weight | 352.4236 |
| SMILES | C12C(C3CC(CC(C1)C3)C2)=C2C(OC(/C2=C(C)/C2=C(OC(=C2)C)C)=O)=O |
| Synonyms | Aberchrome 670,
94856-25-4,
SCHEMBL20507369,
MFCD07368579,
ZINC135706003,
(E)-3-(Adamantan-2-ylidene)-4-[1-(2,5-dimethyl-3-furyl)ethylidene]dihydro-2,5-furandione,
2-(2-Adamantylidene)-3-[1-(2,5-dimethyl-3-furanyl)ethylidene]-succinanhydride,
2-[(E)-1-(2,5-Dimethylfuran-3-yl)ethylidene]-3-(adamantan-2-ylidene)succinic anhydride,
ABERCHROME670,
A2869,
|
| Complexity | 713 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Exact Mass | 352.167g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 26 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 352.43g/mol |
| Monoisotopic Mass | 352.167g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 56.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number