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89724-48-1 | Hexanoic acid, 3-[(cyclohexylcarbonyl)amino]-4-oxo-, methyl ester
CAS No: 89724-48-1 Catalog No: AG004206 MDL No:
Product Description
Catalog Number:
AG004206
Chemical Name:
Hexanoic acid, 3-[(cyclohexylcarbonyl)amino]-4-oxo-, methyl ester
CAS Number:
89724-48-1
Molecular Formula:
C14H23NO4
Molecular Weight:
269.3367
IUPAC Name:
methyl 3-(cyclohexanecarbonylamino)-4-oxohexanoate
InChI:
InChI=1S/C14H23NO4/c1-3-12(16)11(9-13(17)19-2)15-14(18)10-7-5-4-6-8-10/h10-11H,3-9H2,1-2H3,(H,15,18)
InChI Key:
UKNHULMBEUQTJL-UHFFFAOYSA-N
SMILES:
CCC(=O)C(CC(=O)OC)NC(=O)C1CCCCC1
Properties
Complexity:
334
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
269.163g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
269.341g/mol
Monoisotopic Mass:
269.163g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
72.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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