200,000+ products from a single source!
sales@angenechem.com
Home > Carboxes > 1003708-16-4
1003708-16-4 | 3-Pyrrolidinecarboxylic acid, 1-methyl-2-(3-methylphenyl)-5-oxo-
CAS No: 1003708-16-4 Catalog No: AG0001R8 MDL No:MFCD07379668
Product Description
Catalog Number:
AG0001R8
Chemical Name:
3-Pyrrolidinecarboxylic acid, 1-methyl-2-(3-methylphenyl)-5-oxo-
CAS Number:
1003708-16-4
Molecular Formula:
C13H15NO3
Molecular Weight:
233.2631
MDL Number:
MFCD07379668
IUPAC Name:
1-methyl-2-(3-methylphenyl)-5-oxopyrrolidine-3-carboxylic acid
InChI:
InChI=1S/C13H15NO3/c1-8-4-3-5-9(6-8)12-10(13(16)17)7-11(15)14(12)2/h3-6,10,12H,7H2,1-2H3,(H,16,17)
InChI Key:
LUUXCQSBXDIURC-UHFFFAOYSA-N
SMILES:
OC(=O)C1CC(=O)N(C1c1cccc(c1)C)C
Properties
Complexity:
329
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.105g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
233.267g/mol
Monoisotopic Mass:
233.105g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
57.6A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.