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89724-50-5 | Heptanoic acid, 3-[(cyclohexylcarbonyl)amino]-4-oxo-, methyl ester
CAS No: 89724-50-5 Catalog No: AG00430P MDL No:
Product Description
Catalog Number:
AG00430P
Chemical Name:
Heptanoic acid, 3-[(cyclohexylcarbonyl)amino]-4-oxo-, methyl ester
CAS Number:
89724-50-5
Molecular Formula:
C15H25NO4
Molecular Weight:
283.3633
IUPAC Name:
methyl 3-(cyclohexanecarbonylamino)-4-oxoheptanoate
InChI:
InChI=1S/C15H25NO4/c1-3-7-13(17)12(10-14(18)20-2)16-15(19)11-8-5-4-6-9-11/h11-12H,3-10H2,1-2H3,(H,16,19)
InChI Key:
RCUYLXVBAJGDFX-UHFFFAOYSA-N
SMILES:
CCCC(=O)C(NC(=O)C1CCCCC1)CC(=O)OC
Properties
Complexity:
348
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
283.178g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
283.368g/mol
Monoisotopic Mass:
283.178g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
72.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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