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762251-76-3 | Butanoic acid, 4-[[3,4,5-tris(dodecyloxy)benzoyl]amino]-
CAS No: 762251-76-3 Catalog No: AG005775 MDL No:
Product Description
Catalog Number:
AG005775
Chemical Name:
Butanoic acid, 4-[[3,4,5-tris(dodecyloxy)benzoyl]amino]-
CAS Number:
762251-76-3
Molecular Formula:
C47H85NO6
Molecular Weight:
760.1809
IUPAC Name:
4-[(3,4,5-tridodecoxybenzoyl)amino]butanoic acid
InChI:
InChI=1S/C47H85NO6/c1-4-7-10-13-16-19-22-25-28-31-37-52-43-40-42(47(51)48-36-34-35-45(49)50)41-44(53-38-32-29-26-23-20-17-14-11-8-5-2)46(43)54-39-33-30-27-24-21-18-15-12-9-6-3/h40-41H,4-39H2,1-3H3,(H,48,51)(H,49,50)
InChI Key:
HUIJQRRWKSKTQQ-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCOc1c(OCCCCCCCCCCCC)cc(cc1OCCCCCCCCCCCC)C(=O)NCCCC(=O)O
Properties
Complexity:
788
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
759.638g/mol
Formal Charge:
0
Heavy Atom Count:
54
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
760.198g/mol
Monoisotopic Mass:
759.638g/mol
Rotatable Bond Count:
41
Topological Polar Surface Area:
94.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
17.7
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