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10006-67-4 | 3-Pyrrolidinecarboxylic acid, 1-(3,4-dichlorophenyl)-2-oxo-
CAS No: 10006-67-4 Catalog No: AG0000SR MDL No:MFCD09803058
Product Description
Catalog Number:
AG0000SR
Chemical Name:
3-Pyrrolidinecarboxylic acid, 1-(3,4-dichlorophenyl)-2-oxo-
CAS Number:
10006-67-4
Molecular Formula:
C11H9Cl2NO3
Molecular Weight:
274.1001
MDL Number:
MFCD09803058
IUPAC Name:
1-(3,4-dichlorophenyl)-2-oxopyrrolidine-3-carboxylic acid
InChI:
InChI=1S/C11H9Cl2NO3/c12-8-2-1-6(5-9(8)13)14-4-3-7(10(14)15)11(16)17/h1-2,5,7H,3-4H2,(H,16,17)
InChI Key:
UZCXVOTUVYLHJI-UHFFFAOYSA-N
SMILES:
OC(=O)C1CCN(C1=O)c1ccc(c(c1)Cl)Cl
Properties
Complexity:
337
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
272.996g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
274.097g/mol
Monoisotopic Mass:
272.996g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
57.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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