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116783-26-7 | Octanoic acid, 2-amino-, (2S)-
CAS No: 116783-26-7 Catalog No: AG000D8A MDL No:MFCD03701463
Product Description
Catalog Number:
AG000D8A
Chemical Name:
Octanoic acid, 2-amino-, (2S)-
CAS Number:
116783-26-7
Molecular Formula:
C8H17NO2
Molecular Weight:
159.2261
MDL Number:
MFCD03701463
IUPAC Name:
(2S)-2-aminooctanoic acid
InChI:
InChI=1S/C8H17NO2/c1-2-3-4-5-6-7(9)8(10)11/h7H,2-6,9H2,1H3,(H,10,11)/t7-/m0/s1
InChI Key:
AKVBCGQVQXPRLD-ZETCQYMHSA-N
SMILES:
CCCCCC[C@@H](C(=O)O)N
Properties
Complexity:
115
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
159.126g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
159.229g/mol
Monoisotopic Mass:
159.126g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
63.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.5
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