CAS
961-27-3 Purity
>98.0%(GC)
961-27-3 Purity
>98.0%(GC)
![2-[4-(2-Chlorophenyl)piperazin-1-yl]ethyl2-[4-(2-methylpropyl)phenyl]propanoate hydrochloride](https://resource.alfa-chemistry.com/structure/96128-90-4.gif)
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Ethyl 5-amino-4-cyanoisoxazole-3-carboxylate
CAS
96129-39-4
Catalog Number
ACM96129394
Category
Other Products
Molecular Weight
181.148780 [g/mol]
Molecular Formula
C7H7N3O3
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Specification
Synonyms
ethyl 5-amino-4-cyanoisoxazole-3-carboxylate, 96129-39-4, ZINC00108381, AC1MCB8F, Maybridge3_006357, SureCN5028417, MolPort-002-920-868, HMS1449A21, CCG-49374, SBB069144, AKOS015919428, IDI1_017744, KB-202099, FT-0656225, ethyl 5-amino-4-cyano-isoxazole-3-carboxylate, A845550, ethyl 5-amino-4-cyano-1,2-oxazole-3-carboxylate, ethyl 5-azanyl-4-cyano-1,2-oxazole-3-carboxylate, S05-0006, SR-01000638832-1
IUPAC Name
ethyl 5-amino-4-cyano-1,2-oxazole-3-carboxylate
Canonical SMILES
CCOC(=O)C1=NOC(=C1C#N)N
InChI Key
OUYFMARNGADGFZ-UHFFFAOYSA-N
Exact Mass
181.04900
H-Bond Acceptor
6
H-Bond Donor
1
What is the molecular formula of ethyl 5-amino-4-cyanoisoxazole-3-carboxylate?
The molecular formula is C7H7N3O3.
What is the synonym for ethyl 5-amino-4-cyanoisoxazole-3-carboxylate?
The synonym is ethyl 5-amino-4-cyano-1,2-oxazole-3-carboxylate.
What is the molecular weight of ethyl 5-amino-4-cyanoisoxazole-3-carboxylate?
The molecular weight is 181.15 g/mol.
When was ethyl 5-amino-4-cyanoisoxazole-3-carboxylate created in PubChem?
It was created on July 19, 2005.
What is the IUPAC name of ethyl 5-amino-4-cyanoisoxazole-3-carboxylate?
The IUPAC name is ethyl 5-amino-4-cyano-1,2-oxazole-3-carboxylate.
What is the InChIKey of ethyl 5-amino-4-cyanoisoxazole-3-carboxylate?
The InChIKey is OUYFMARNGADGFZ-UHFFFAOYSA-N.
How many hydrogen bond acceptors does ethyl 5-amino-4-cyanoisoxazole-3-carboxylate have?
It has 6 hydrogen bond acceptors.
What is the topological polar surface area of ethyl 5-amino-4-cyanoisoxazole-3-carboxylate?
The topological polar surface area is 102?2.
How many rotatable bond counts are there in ethyl 5-amino-4-cyanoisoxazole-3-carboxylate?
There are 3 rotatable bond counts.
Is the compound canonicalized in PubChem?
Yes, the compound is canonicalized in PubChem.
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