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Home Carboxys 1-(3-Chloro-4-methylphenyl)-5-oxopyrrolidine-3-carboxylic acid

1-(3-Chloro-4-methylphenyl)-5-oxopyrrolidine-3-carboxylic acid

CAS No.:
63674-66-8
Catalog Number:
AG00E9SI
Molecular Formula:
C12H12ClNO3
Molecular Weight:
253.6816
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
96%
In Stock USA
United States
$150
- +
5g
96%
In Stock USA
United States
$400
- +
10g
96%
In Stock USA
United States
$600
- +
25g
96%
In Stock USA
United States
$975
- +
Product Description
Catalog Number:
AG00E9SI
Chemical Name:
1-(3-Chloro-4-methylphenyl)-5-oxopyrrolidine-3-carboxylic acid
CAS Number:
63674-66-8
Molecular Formula:
C12H12ClNO3
Molecular Weight:
253.6816
MDL Number:
MFCD01429410
IUPAC Name:
1-(3-chloro-4-methylphenyl)-5-oxopyrrolidine-3-carboxylic acid
InChI:
InChI=1S/C12H12ClNO3/c1-7-2-3-9(5-10(7)13)14-6-8(12(16)17)4-11(14)15/h2-3,5,8H,4,6H2,1H3,(H,16,17)
InChI Key:
MYNNLWVFRWATKE-UHFFFAOYSA-N
SMILES:
OC(=O)C1CC(=O)N(C1)c1ccc(c(c1)Cl)C
Properties
Complexity:
334  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.051g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
253.682g/mol
Monoisotopic Mass:
253.051g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
57.6A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  
Properties