Home Sulfos 3-[4-(azepane-1-sulfonyl)phenyl]propanoic acid

3-[4-(azepane-1-sulfonyl)phenyl]propanoic acid

CAS No.:
793678-96-3
Catalog Number:
AG00ID18
Molecular Formula:
C15H21NO4S
Molecular Weight:
311.3965
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Product Description
Catalog Number:
AG00ID18
Chemical Name:
3-[4-(azepane-1-sulfonyl)phenyl]propanoic acid
CAS Number:
793678-96-3
Molecular Formula:
C15H21NO4S
Molecular Weight:
311.3965
MDL Number:
MFCD06363472
IUPAC Name:
3-[4-(azepan-1-ylsulfonyl)phenyl]propanoic acid
InChI:
InChI=1S/C15H21NO4S/c17-15(18)10-7-13-5-8-14(9-6-13)21(19,20)16-11-3-1-2-4-12-16/h5-6,8-9H,1-4,7,10-12H2,(H,17,18)
InChI Key:
XSYFXXZHIBXOBW-UHFFFAOYSA-N
SMILES:
OC(=O)CCc1ccc(cc1)S(=O)(=O)N1CCCCCC1
Properties
Complexity:
427  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
311.119g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
311.396g/mol
Monoisotopic Mass:
311.119g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
83.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2  
Properties