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163271-20-3 | Pentanoic acid, 5-amino-4-oxo-, cyclohexyl ester
CAS No: 163271-20-3 Catalog No: AG001TYR MDL No:
Product Description
Catalog Number:
AG001TYR
Chemical Name:
Pentanoic acid, 5-amino-4-oxo-, cyclohexyl ester
CAS Number:
163271-20-3
Molecular Formula:
C11H19NO3
Molecular Weight:
213.2735
IUPAC Name:
cyclohexyl 5-amino-4-oxopentanoate
InChI:
InChI=1S/C11H19NO3/c12-8-9(13)6-7-11(14)15-10-4-2-1-3-5-10/h10H,1-8,12H2
InChI Key:
KAGRSQSDSYQOMT-UHFFFAOYSA-N
SMILES:
NCC(=O)CCC(=O)OC1CCCCC1
Properties
Complexity:
222
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
213.136g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
213.277g/mol
Monoisotopic Mass:
213.136g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
69.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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