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114865-59-7 | Butanoic acid, 4-(dioctylamino)-4-oxo-
CAS No: 114865-59-7 Catalog No: AG000FD6 MDL No:
Product Description
Catalog Number:
AG000FD6
Chemical Name:
Butanoic acid, 4-(dioctylamino)-4-oxo-
CAS Number:
114865-59-7
Molecular Formula:
C20H39NO3
Molecular Weight:
341.5286
IUPAC Name:
4-(dioctylamino)-4-oxobutanoic acid
InChI:
InChI=1S/C20H39NO3/c1-3-5-7-9-11-13-17-21(19(22)15-16-20(23)24)18-14-12-10-8-6-4-2/h3-18H2,1-2H3,(H,23,24)
InChI Key:
OESQKGLYGNRTEY-UHFFFAOYSA-N
SMILES:
CCCCCCCCN(C(=O)CCC(=O)O)CCCCCCCC
Properties
Complexity:
302
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
341.293g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
341.536g/mol
Monoisotopic Mass:
341.293g/mol
Rotatable Bond Count:
17
Topological Polar Surface Area:
57.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6
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