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114781-18-9 | Octanoic acid, 2-amino-2-ethyl-, (2R)-
CAS No: 114781-18-9 Catalog No: AG000F7Q MDL No:MFCD05663543
Product Description
Catalog Number:
AG000F7Q
Chemical Name:
Octanoic acid, 2-amino-2-ethyl-, (2R)-
CAS Number:
114781-18-9
Molecular Formula:
C10H21NO2
Molecular Weight:
187.2792
MDL Number:
MFCD05663543
IUPAC Name:
(2R)-2-amino-2-ethyloctanoic acid
InChI:
InChI=1S/C10H21NO2/c1-3-5-6-7-8-10(11,4-2)9(12)13/h3-8,11H2,1-2H3,(H,12,13)/t10-/m1/s1
InChI Key:
NKBJUCYPZSRVDF-SNVBAGLBSA-N
SMILES:
CCCCCC[C@@](C(=O)O)(CC)N
Properties
Complexity:
159
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
187.157g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
187.283g/mol
Monoisotopic Mass:
187.157g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
63.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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