sales@angenesci.com
Login | Register
logo
Structures Search
Home Carboxys 1-(3-Methylphenyl)-5-oxopyrrolidine-3-carboxylic acid

1-(3-Methylphenyl)-5-oxopyrrolidine-3-carboxylic acid

CAS No.:
56617-45-9
Catalog Number:
AG00E9SS
Molecular Formula:
C12H13NO3
Molecular Weight:
219.2365
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$50
- +
5g
98%
In Stock USA
United States
$150
- +
10g
98%
In Stock USA
United States
$225
- +
25g
98%
In Stock USA
United States
$450
- +
100g
98%
In Stock USA
United States
$1225
- +
Product Description
Catalog Number:
AG00E9SS
Chemical Name:
1-(3-Methylphenyl)-5-oxopyrrolidine-3-carboxylic acid
CAS Number:
56617-45-9
Molecular Formula:
C12H13NO3
Molecular Weight:
219.2365
MDL Number:
MFCD01688143
IUPAC Name:
1-(3-methylphenyl)-5-oxopyrrolidine-3-carboxylic acid
InChI:
InChI=1S/C12H13NO3/c1-8-3-2-4-10(5-8)13-7-9(12(15)16)6-11(13)14/h2-5,9H,6-7H2,1H3,(H,15,16)
InChI Key:
FEIYFABONGDZKQ-UHFFFAOYSA-N
SMILES:
OC(=O)C1CC(=O)N(C1)c1cccc(c1)C
Properties
Complexity:
303  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.09g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
219.24g/mol
Monoisotopic Mass:
219.09g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
57.6A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9  
Literature
Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Microsphere-based protease assays and screening application for lethal factor and factor Xa. Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501
Properties