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192513-19-2 | Butanoic acid, 4-[[[2-(ethylthio)phenoxy]carbonyl]amino]-
CAS No: 192513-19-2 Catalog No: AG002G1E MDL No:
Product Description
Catalog Number:
AG002G1E
Chemical Name:
Butanoic acid, 4-[[[2-(ethylthio)phenoxy]carbonyl]amino]-
CAS Number:
192513-19-2
Molecular Formula:
C13H17NO4S
Molecular Weight:
283.3434
IUPAC Name:
4-[(2-ethylsulfanylphenoxy)carbonylamino]butanoic acid
InChI:
InChI=1S/C13H17NO4S/c1-2-19-11-7-4-3-6-10(11)18-13(17)14-9-5-8-12(15)16/h3-4,6-7H,2,5,8-9H2,1H3,(H,14,17)(H,15,16)
InChI Key:
OUUACFQVEIKQQR-UHFFFAOYSA-N
SMILES:
CCSc1ccccc1OC(=O)NCCCC(=O)O
Properties
Complexity:
298
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
283.088g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
283.342g/mol
Monoisotopic Mass:
283.088g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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