CAS
90905-32-1 Purity
98%
90905-32-1 Purity
98%
Shopping basket
2-Oxo-4-[2-chloro-4-(dimethylamino)phenyl]-3-butenoic acid
CAS
90906-75-5
Catalog Number
ACM90906755
Category
Other Products
If you have any other questions or need other size, please get a quote.
- Product Description
- Case Study
- Custom Reviews
- Custom Q&A
- Synthetic Use
- Related Resources
What is the molecular formula of the compound?
The molecular formula is C12H12ClNO3.
What is the molecular weight of the compound?
The molecular weight is 253.68 g/mol.
What is the IUPAC name of the compound?
The IUPAC name is (E)-4-[2-chloro-4-(dimethylamino)phenyl]-2-oxobut-3-enoic acid.
What is the InChI code of the compound?
The InChI code is InChI=1S/C12H12ClNO3/c1-14(2)9-5-3-8(10(13)7-9)4-6-11(15)12(16)17/h3-7H,1-2H3,(H,16,17)/b6-4+.
What is the InChIKey of the compound?
The InChIKey is NRYWHEVMJPEZOH-GQCTYLIASA-N.
What is the canonical SMILES of the compound?
The canonical SMILES is CN(C)C1=CC(=C(C=C1)C=CC(=O)C(=O)O)Cl.
What is the isomeric SMILES of the compound?
The isomeric SMILES is CN(C)C1=CC(=C(C=C1)/C=C/C(=O)C(=O)O)Cl.
What is the XLogP3-AA value of the compound?
The XLogP3-AA value is 2.5.
How many hydrogen bond donor counts does the compound have?
The compound has 1 hydrogen bond donor count.
How many hydrogen bond acceptor counts does the compound have?
The compound has 4 hydrogen bond acceptor counts.
Recommended Products
![3,4-Dihydro-7-fluorospiro[chromene-2,4'-piperidine]](https://resource.alfa-chemistry.com/structure/909072-52-2.gif)
CAS
909076-34-2 Purity
96%
909076-34-2 Purity
96%
