CAS
92-99-9 Purity
---
92-99-9 Purity
---
Inquiry Basket
Proline,1-[4-(methylsulfonyl)-2-nitrophenyl]-
CAS
93001-20-8
Catalog Number
ACM93001208
Category
Other Products
Molecular Weight
314.31436
Molecular Formula
C12H14N2O6S
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
Specification
Synonyms
93001-20-8, 1-[4-(Methylsulfonyl)-2-nitrophenyl]pyrrolidine-2-carboxylic acid, 1-(4-methylsulfonyl-2-nitrophenyl)pyrrolidine-2-carboxylic acid, 1-[4-(methylsulphonyl)-2-nitrophenyl]pyrrolidine-2-carboxylic acid, AGN-PC-06MXK8, CTK5H1986, MolPort-001-770-376, OR8399, AKOS009486388, AG-A-17565, AG-H-80523, KB-217394, FT-0678144, 1-[4-(Methylsulphonyl)-2-nitrophenyl]-DL-proline, I04-4257, 4-(2-Carboxypyrrolidin-1-yl)-3-nitrophenyl methyl sulphone, 1-(4-methanesulfonyl-2-nitrophenyl)pyrrolidine-2-carboxylic acid
IUPAC Name
1-(4-methylsulfonyl-2-nitrophenyl)pyrrolidine-2-carboxylic acid
Canonical SMILES
CS(=O)(=O)C1=CC(=C(C=C1)N2CCCC2C(=O)O)[N+](=O)[O-]
InChI Key
CVQBYXIPWRZGJO-UHFFFAOYSA-N
Boiling Point
603ºC at 760mmHg
Melting Point
173-174ºC
Flash Point
318.5ºC
Density
1.497g/cm³
Exact Mass
314.05700
Hazard Statements
Xi: Irritant;
H-Bond Acceptor
7
H-Bond Donor
1
What is the molecular formula of Proline?
The molecular formula of Proline is C12H14N2O6S.
What is the molecular weight of Proline?
The molecular weight of Proline is 314.32 g/mol.
When was Proline created in PubChem?
Proline was created in PubChem on July 21, 2009.
What is the IUPAC name of Proline?
The IUPAC name of Proline is 1-(4-methylsulfonyl-2-nitrophenyl)pyrrolidine-2-carboxylic acid.
What is the Canonical SMILES of Proline?
The Canonical SMILES of Proline is CS(=O)(=O)C1=CC(=C(C=C1)N2CCCC2C(=O)O)[N+](=O)[O-].
What is the InChIKey of Proline?
The InChIKey of Proline is CVQBYXIPWRZGJO-UHFFFAOYSA-N.
How many hydrogen bond acceptors does Proline have?
Proline has 7 hydrogen bond acceptors.
What is the XLogP3-AA value of Proline?
The XLogP3-AA value of Proline is 1.2.
What is the topological polar surface area of Proline?
The topological polar surface area of Proline is 129 2.
Is the compound of Proline canonicalized?
Yes, the compound of Proline is canonicalized.
Recommended Products
![Methionine,N-[(1,1-dimethylethoxy)carbonyl]-](https://resource.alfa-chemistry.com/structure/93000-03-4.gif)
