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

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

CAS No.:
63674-98-6
Catalog Number:
AG00E9TD
Molecular Formula:
C12H12ClNO4
Molecular Weight:
269.6810
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$96
- +
5g
95%
In Stock USA
United States
$216
- +
Product Description
Catalog Number:
AG00E9TD
Chemical Name:
1-(3-Chloro-4-methoxyphenyl)-5-oxopyrrolidine-3-carboxylic acid
CAS Number:
63674-98-6
Molecular Formula:
C12H12ClNO4
Molecular Weight:
269.6810
MDL Number:
MFCD03044701
IUPAC Name:
1-(3-chloro-4-methoxyphenyl)-5-oxopyrrolidine-3-carboxylic acid
InChI:
InChI=1S/C12H12ClNO4/c1-18-10-3-2-8(5-9(10)13)14-6-7(12(16)17)4-11(14)15/h2-3,5,7H,4,6H2,1H3,(H,16,17)
InChI Key:
ZCPWASRXJNDMDW-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1Cl)N1CC(CC1=O)C(=O)O
Properties
Complexity:
349  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
269.045g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
269.681g/mol
Monoisotopic Mass:
269.045g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1  
Properties