200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 1038410-49-9
1038410-49-9 | (m-tolylsulfonyl)proline
CAS No: 1038410-49-9 Catalog No: AG01FLXC MDL No:MFCD06319793
Product Description
Catalog Number:
AG01FLXC
Chemical Name:
(m-tolylsulfonyl)proline
CAS Number:
1038410-49-9
Molecular Formula:
C12H15NO4S
Molecular Weight:
269.3168
MDL Number:
MFCD06319793
IUPAC Name:
1-(3-methylphenyl)sulfonylpyrrolidine-2-carboxylic acid
InChI:
InChI=1S/C12H15NO4S/c1-9-4-2-5-10(8-9)18(16,17)13-7-3-6-11(13)12(14)15/h2,4-5,8,11H,3,6-7H2,1H3,(H,14,15)
InChI Key:
ALLYQSSIEPEGQX-UHFFFAOYSA-N
SMILES:
OC(=O)C1CCCN1S(=O)(=O)c1cccc(c1)C
Properties
Complexity:
414
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
269.072g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
269.315g/mol
Monoisotopic Mass:
269.072g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
83.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.