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102522-32-7 | Octanoic acid, 8-amino-, 1,1-dimethylethyl ester
CAS No: 102522-32-7 Catalog No: AG0007NA MDL No:MFCD24624132
Product Description
Catalog Number:
AG0007NA
Chemical Name:
Octanoic acid, 8-amino-, 1,1-dimethylethyl ester
CAS Number:
102522-32-7
Molecular Formula:
C12H25NO2
Molecular Weight:
215.3324
MDL Number:
MFCD24624132
IUPAC Name:
tert-butyl 8-aminooctanoate
InChI:
InChI=1S/C12H25NO2/c1-12(2,3)15-11(14)9-7-5-4-6-8-10-13/h4-10,13H2,1-3H3
InChI Key:
CGXSJIQNNZPSCT-UHFFFAOYSA-N
SMILES:
NCCCCCCCC(=O)OC(C)(C)C
Properties
Complexity:
173
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
215.189g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
215.337g/mol
Monoisotopic Mass:
215.189g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
52.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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