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167944-94-7 | Cyclopentanepropanoic acid, 1-carboxy-α-[(2-methoxyethoxy)methyl]-, α-(1,1-dimethylethyl) ester, (αS)-, compd. with cyclohexanamine (1:1) (9CI)
CAS No: 167944-94-7 Catalog No: AG001XPO MDL No:
Product Description
Catalog Number:
AG001XPO
Chemical Name:
Cyclopentanepropanoic acid, 1-carboxy-α-[(2-methoxyethoxy)methyl]-, α-(1,1-dimethylethyl) ester, (αS)-, compd. with cyclohexanamine (1:1) (9CI)
CAS Number:
167944-94-7
IUPAC Name:
cyclohexylazanium;1-[(2S)-2-(2-methoxyethoxymethyl)-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]cyclopentane-1-carboxylate
InChI:
InChI=1S/C17H30O6.C6H13N/c1-16(2,3)23-14(18)13(12-22-10-9-21-4)11-17(15(19)20)7-5-6-8-17;7-6-4-2-1-3-5-6/h13H,5-12H2,1-4H3,(H,19,20);6H,1-5,7H2/t13-;/m0./s1
InChI Key:
NJMMIOIKHYTVGG-ZOWNYOTGSA-N
EC Number:
425-510-4
Properties
Complexity:
433
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
429.309g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
429.598g/mol
Monoisotopic Mass:
429.309g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
113A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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