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89093-76-5 | 1,3-Cyclohexanedione, 5-cycloheptyl-2-[1-(ethoxyamino)pentylidene]-
CAS No: 89093-76-5 Catalog No: AG003Z1H MDL No:
Product Description
Catalog Number:
AG003Z1H
Chemical Name:
1,3-Cyclohexanedione, 5-cycloheptyl-2-[1-(ethoxyamino)pentylidene]-
CAS Number:
89093-76-5
Molecular Formula:
C20H33NO3
Molecular Weight:
335.4809
IUPAC Name:
2-(C-butyl-N-ethoxycarbonimidoyl)-5-cycloheptyl-3-hydroxycyclohex-2-en-1-one
InChI:
InChI=1S/C20H33NO3/c1-3-5-12-17(21-24-4-2)20-18(22)13-16(14-19(20)23)15-10-8-6-7-9-11-15/h15-16,22H,3-14H2,1-2H3
InChI Key:
AXDUYMJKXHELNX-UHFFFAOYSA-N
SMILES:
CCCCC(=C1C(=O)CC(CC1=O)C1CCCCCC1)NOCC
Properties
Complexity:
473
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
335.246g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
335.488g/mol
Monoisotopic Mass:
335.246g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
58.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
5.7
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