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89789-01-5 | Pentanoic acid, 3-[(cyclohexylacetyl)amino]-4-oxo-, methyl ester
CAS No: 89789-01-5 Catalog No: AG003ZE8 MDL No:
Product Description
Catalog Number:
AG003ZE8
Chemical Name:
Pentanoic acid, 3-[(cyclohexylacetyl)amino]-4-oxo-, methyl ester
CAS Number:
89789-01-5
Molecular Formula:
C14H23NO4
Molecular Weight:
269.3367
IUPAC Name:
methyl 3-[(2-cyclohexylacetyl)amino]-4-oxopentanoate
InChI:
InChI=1S/C14H23NO4/c1-10(16)12(9-14(18)19-2)15-13(17)8-11-6-4-3-5-7-11/h11-12H,3-9H2,1-2H3,(H,15,17)
InChI Key:
SQRWJPMMUKUOTP-UHFFFAOYSA-N
SMILES:
COC(=O)CC(C(=O)C)NC(=O)CC1CCCCC1
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:
1.8
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