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188634-48-2 | 2-Propenoic acid, 3-[5-[(diethylamino)sulfonyl]-2-methoxyphenyl]-
CAS No: 188634-48-2 Catalog No: AG002H27 MDL No:
Product Description
Catalog Number:
AG002H27
Chemical Name:
2-Propenoic acid, 3-[5-[(diethylamino)sulfonyl]-2-methoxyphenyl]-
CAS Number:
188634-48-2
Molecular Formula:
C14H19NO5S
Molecular Weight:
313.3694
IUPAC Name:
3-[5-(diethylsulfamoyl)-2-methoxyphenyl]prop-2-enoic acid
InChI:
InChI=1S/C14H19NO5S/c1-4-15(5-2)21(18,19)12-7-8-13(20-3)11(10-12)6-9-14(16)17/h6-10H,4-5H2,1-3H3,(H,16,17)
InChI Key:
VAZWEQYCXOEEBJ-UHFFFAOYSA-N
SMILES:
CCN(S(=O)(=O)c1ccc(c(c1)C=CC(=O)O)OC)CC
Properties
Complexity:
464
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
313.098g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
313.368g/mol
Monoisotopic Mass:
313.098g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
92.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.7
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