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168421-24-7 | 1,3-Octanediol, 2-azido-, (2R,3S)-
CAS No: 168421-24-7 Catalog No: AG001Y1W MDL No:
Product Description
Catalog Number:
AG001Y1W
Chemical Name:
1,3-Octanediol, 2-azido-, (2R,3S)-
CAS Number:
168421-24-7
Molecular Formula:
C8H17N3O2
Molecular Weight:
187.2395
IUPAC Name:
(2R,3S)-2-azidooctane-1,3-diol
InChI:
InChI=1S/C8H17N3O2/c1-2-3-4-5-8(13)7(6-12)10-11-9/h7-8,12-13H,2-6H2,1H3/t7-,8+/m1/s1
InChI Key:
UKEDANHVKNAKDE-SFYZADRCSA-N
SMILES:
CCCCC[C@@H]([C@H](N=[N+]=[N-])CO)O
Properties
Complexity:
169
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
187.132g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
187.243g/mol
Monoisotopic Mass:
187.132g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
54.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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