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157120-40-6 | Nonanoic acid, 7,8-diamino-, (7R,8S)-
CAS No: 157120-40-6 Catalog No: AG001P92 MDL No:
Product Description
Catalog Number:
AG001P92
Chemical Name:
Nonanoic acid, 7,8-diamino-, (7R,8S)-
CAS Number:
157120-40-6
Molecular Formula:
C9H20N2O2
Molecular Weight:
188.2673
IUPAC Name:
(7R,8S)-7,8-diaminononanoic acid
InChI:
InChI=1S/C9H20N2O2/c1-7(10)8(11)5-3-2-4-6-9(12)13/h7-8H,2-6,10-11H2,1H3,(H,12,13)/t7-,8+/m0/s1
InChI Key:
KCEGBPIYGIWCDH-JGVFFNPUSA-N
SMILES:
OC(=O)CCCCC[C@H]([C@@H](N)C)N
Properties
Complexity:
151
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
188.152g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
188.271g/mol
Monoisotopic Mass:
188.152g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
89.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.3
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