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123977-49-1 | Undecanoic acid, 11-[methyl(1-oxo-2-propen-1-yl)amino]-
CAS No: 123977-49-1 Catalog No: AG000LBJ MDL No:
Product Description
Catalog Number:
AG000LBJ
Chemical Name:
Undecanoic acid, 11-[methyl(1-oxo-2-propen-1-yl)amino]-
CAS Number:
123977-49-1
Molecular Formula:
C15H27NO3
Molecular Weight:
269.3798
IUPAC Name:
11-[methyl(prop-2-enoyl)amino]undecanoic acid
InChI:
InChI=1S/C15H27NO3/c1-3-14(17)16(2)13-11-9-7-5-4-6-8-10-12-15(18)19/h3H,1,4-13H2,2H3,(H,18,19)
InChI Key:
PRUPZWGJDWVVJH-UHFFFAOYSA-N
SMILES:
C=CC(=O)N(CCCCCCCCCCC(=O)O)C
Properties
Complexity:
277
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
269.199g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
269.385g/mol
Monoisotopic Mass:
269.199g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
57.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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