Home Sulfos 4-methanesulfonyl-2-[(2-methoxyphenyl)formamido]butanoic acid

4-methanesulfonyl-2-[(2-methoxyphenyl)formamido]butanoic acid

CAS No.:
1032039-85-2
Catalog Number:
AG019PBB
Molecular Formula:
C13H17NO6S
Molecular Weight:
315.3422
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Product Description
Catalog Number:
AG019PBB
Chemical Name:
4-methanesulfonyl-2-[(2-methoxyphenyl)formamido]butanoic acid
CAS Number:
1032039-85-2
Molecular Formula:
C13H17NO6S
Molecular Weight:
315.3422
MDL Number:
MFCD08691093
IUPAC Name:
2-[(2-methoxybenzoyl)amino]-4-methylsulfonylbutanoic acid
InChI:
InChI=1S/C13H17NO6S/c1-20-11-6-4-3-5-9(11)12(15)14-10(13(16)17)7-8-21(2,18)19/h3-6,10H,7-8H2,1-2H3,(H,14,15)(H,16,17)
InChI Key:
DDTVYRVUEMUBRK-UHFFFAOYSA-N
SMILES:
COc1ccccc1C(=O)NC(C(=O)O)CCS(=O)(=O)C
Properties
Complexity:
470  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
315.078g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
315.34g/mol
Monoisotopic Mass:
315.078g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
118A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5  
Properties