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143583-78-2 | 2(1H)-Azecinone, octahydro-1-[(5-methyl-4-isoxazolyl)carbonyl]-
CAS No: 143583-78-2 Catalog No: AG007YPW MDL No:
Product Description
Catalog Number:
AG007YPW
Chemical Name:
2(1H)-Azecinone, octahydro-1-[(5-methyl-4-isoxazolyl)carbonyl]-
CAS Number:
143583-78-2
Molecular Formula:
C14H20N2O3
Molecular Weight:
264.3202
IUPAC Name:
1-(5-methyl-1,2-oxazole-4-carbonyl)azecan-2-one
InChI:
InChI=1S/C14H20N2O3/c1-11-12(10-15-19-11)14(18)16-9-7-5-3-2-4-6-8-13(16)17/h10H,2-9H2,1H3
InChI Key:
NIIQAWQUMATYAG-UHFFFAOYSA-N
SMILES:
O=C1CCCCCCCCN1C(=O)c1cnoc1C
Properties
Complexity:
333
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
264.147g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
264.325g/mol
Monoisotopic Mass:
264.147g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
63.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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