Home Carboxys 1-(3-methyl-4-nitrobenzoyl)pyrrolidine-2-carboxylic acid

1-(3-methyl-4-nitrobenzoyl)pyrrolidine-2-carboxylic acid

CAS No.:
1101842-87-8
Catalog Number:
AG01EKJC
Molecular Formula:
C13H14N2O5
Molecular Weight:
278.2607
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Product Description
Catalog Number:
AG01EKJC
Chemical Name:
1-(3-methyl-4-nitrobenzoyl)pyrrolidine-2-carboxylic acid
CAS Number:
1101842-87-8
Molecular Formula:
C13H14N2O5
Molecular Weight:
278.2607
MDL Number:
MFCD09807085
IUPAC Name:
1-(3-methyl-4-nitrobenzoyl)pyrrolidine-2-carboxylic acid
InChI:
InChI=1S/C13H14N2O5/c1-8-7-9(4-5-10(8)15(19)20)12(16)14-6-2-3-11(14)13(17)18/h4-5,7,11H,2-3,6H2,1H3,(H,17,18)
InChI Key:
GQHRWPKZHAUFMN-UHFFFAOYSA-N
SMILES:
OC(=O)C1CCCN1C(=O)c1ccc(c(c1)C)[N+](=O)[O-]
Properties
Complexity:
420  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
278.09g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
278.264g/mol
Monoisotopic Mass:
278.09g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
103A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  
Properties