CAS
91999-75-6 Purity
---
91999-75-6 Purity
---
Inquiry Basket
Butanoic acid,2-[(acetylamino)methyl]-3-oxo-,methyl ester
CAS
920008-01-1
Catalog Number
ACM920008011
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 with PubChem CID 22151862?
The molecular formula is C8H13NO4.
When was the compound created and last modified in PubChem?
It was created on 2007-12-05 and last modified on 2023-12-30.
What is the IUPAC name of the compound?
The IUPAC name is methyl 2-(acetamidomethyl)-3-oxobutanoate.
What is the Canonical SMILES of the compound?
The Canonical SMILES is CC(=O)C(CNC(=O)C)C(=O)OC.
What is the InChI of the compound?
InChI=1S/C8H13NO4/c1-5(10)7(8(12)13-3)4-9-6(2)11/h7H,4H2,1-3H3,(H,9,11).
What is the InChIKey of the compound?
The InChIKey is GUMGCWHQSDQJJT-UHFFFAOYSA-N.
What is the molecular weight of the compound?
The molecular weight is 187.19 g/mol.
How many hydrogen bond donor counts does the compound have?
It has 1 hydrogen bond donor count.
What is the topological polar surface area of the compound?
The topological polar surface area is 72.5 Ų.
Is the compound canonicalized according to PubChem?
Yes, the compound is canonicalized.
Recommended Products
