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Home > Other Heterocycles > 163972-12-1
163972-12-1 | Dodecanamide, N-(2,5-dioxo-7-oxabicyclo[4.1.0]hept-3-en-3-yl)-
CAS No: 163972-12-1 Catalog No: AG001UJZ MDL No:
Product Description
Catalog Number:
AG001UJZ
Chemical Name:
Dodecanamide, N-(2,5-dioxo-7-oxabicyclo[4.1.0]hept-3-en-3-yl)-
CAS Number:
163972-12-1
Molecular Formula:
C18H27NO4
Molecular Weight:
321.4113
IUPAC Name:
N-(2,5-dioxo-7-oxabicyclo[4.1.0]hept-3-en-3-yl)dodecanamide
InChI:
InChI=1S/C18H27NO4/c1-2-3-4-5-6-7-8-9-10-11-15(21)19-13-12-14(20)17-18(23-17)16(13)22/h12,17-18H,2-11H2,1H3,(H,19,21)
InChI Key:
CPLOIQOGHRAUFQ-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCC(=O)NC1=CC(=O)C2C(C1=O)O2
Properties
Complexity:
483
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
321.194g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
321.417g/mol
Monoisotopic Mass:
321.194g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
75.8A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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