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192766-27-1 | Benzoic acid, 4-[[4-(octadecylthio)-1-oxobutyl]amino]-
CAS No: 192766-27-1 Catalog No: AG002GA5 MDL No:
Product Description
Catalog Number:
AG002GA5
Chemical Name:
Benzoic acid, 4-[[4-(octadecylthio)-1-oxobutyl]amino]-
CAS Number:
192766-27-1
Molecular Formula:
C29H49NO3S
Molecular Weight:
491.7693
IUPAC Name:
4-(4-octadecylsulfanylbutanoylamino)benzoic acid
InChI:
InChI=1S/C29H49NO3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24-34-25-18-19-28(31)30-27-22-20-26(21-23-27)29(32)33/h20-23H,2-19,24-25H2,1H3,(H,30,31)(H,32,33)
InChI Key:
UUXRHABSSPBGHP-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCCCCSCCCC(=O)Nc1ccc(cc1)C(=O)O
Properties
Complexity:
492
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
491.343g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
491.775g/mol
Monoisotopic Mass:
491.343g/mol
Rotatable Bond Count:
23
Topological Polar Surface Area:
91.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
10.4
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