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87712-36-5 | Octadecanoic acid, 2-[(methylphenylamino)sulfonyl]-
CAS No: 87712-36-5 Catalog No: AG004GHO MDL No:
Product Description
Catalog Number:
AG004GHO
Chemical Name:
Octadecanoic acid, 2-[(methylphenylamino)sulfonyl]-
CAS Number:
87712-36-5
Molecular Formula:
C25H43NO4S
Molecular Weight:
453.6782
IUPAC Name:
2-[methyl(phenyl)sulfamoyl]octadecanoic acid
InChI:
InChI=1S/C25H43NO4S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-19-22-24(25(27)28)31(29,30)26(2)23-20-17-16-18-21-23/h16-18,20-21,24H,3-15,19,22H2,1-2H3,(H,27,28)
InChI Key:
ZNNQNUPVCXEBOK-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCCC(S(=O)(=O)N(c1ccccc1)C)C(=O)O
Properties
Complexity:
552
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
453.291g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
453.682g/mol
Monoisotopic Mass:
453.291g/mol
Rotatable Bond Count:
19
Topological Polar Surface Area:
83.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
9
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