Name: Name:4-methoxy-3-(pyrrolidine-1-sulfonyl)benzoic acid
Brand: Angene
SKU: AG00I5K2
Rating: 90 (10 reviews)

4-methoxy-3-(pyrrolidine-1-sulfonyl)benzoic acid

CAS No.:

299181-37-6

Catalog Number:

AG00I5K2

Molecular Formula:

C12H15NO5S

Molecular Weight:

285.3162

Catalog Number:

AG00I5K2

Chemical Name:

4-methoxy-3-(pyrrolidine-1-sulfonyl)benzoic acid

CAS Number:

299181-37-6

Molecular Formula:

C12H15NO5S

Molecular Weight:

285.3162

MDL Number:

MFCD00978334

IUPAC Name:

4-methoxy-3-pyrrolidin-1-ylsulfonylbenzoic acid

InChI:

InChI=1S/C12H15NO5S/c1-18-10-5-4-9(12(14)15)8-11(10)19(16,17)13-6-2-3-7-13/h4-5,8H,2-3,6-7H2,1H3,(H,14,15)

InChI Key:

AWZCBLJQMJUZDO-UHFFFAOYSA-N

SMILES:

COc1ccc(cc1S(=O)(=O)N1CCCC1)C(=O)O

Complexity:

424

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

285.067g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

285.314g/mol

Monoisotopic Mass:

285.067g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

92.3A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.1