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81242-26-4 | Butanoic acid, 4-[[(4-methoxyphenyl)sulfonyl]amino]-
CAS No: 81242-26-4 Catalog No: AG0054VD MDL No:MFCD02331432
Product Description
Catalog Number:
AG0054VD
Chemical Name:
Butanoic acid, 4-[[(4-methoxyphenyl)sulfonyl]amino]-
CAS Number:
81242-26-4
Molecular Formula:
C11H15NO5S
Molecular Weight:
273.3055
MDL Number:
MFCD02331432
IUPAC Name:
4-[(4-methoxyphenyl)sulfonylamino]butanoic acid
InChI:
InChI=1S/C11H15NO5S/c1-17-9-4-6-10(7-5-9)18(15,16)12-8-2-3-11(13)14/h4-7,12H,2-3,8H2,1H3,(H,13,14)
InChI Key:
LEAPXZPMNOGTPI-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)S(=O)(=O)NCCCC(=O)O
Properties
Complexity:
354
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
273.067g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
273.303g/mol
Monoisotopic Mass:
273.067g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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