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131063-52-0 | 1,4-Butanediol, 2,3-diazido-, (2S,3S)-
CAS No: 131063-52-0 Catalog No: AG000VHD MDL No:
Product Description
Catalog Number:
AG000VHD
Chemical Name:
1,4-Butanediol, 2,3-diazido-, (2S,3S)-
CAS Number:
131063-52-0
Molecular Formula:
C4H8N6O2
Molecular Weight:
172.1453
IUPAC Name:
(2S,3S)-2,3-diazidobutane-1,4-diol
InChI:
InChI=1S/C4H8N6O2/c5-9-7-3(1-11)4(2-12)8-10-6/h3-4,11-12H,1-2H2/t3-,4-/m1/s1
InChI Key:
KGPIPUJSXQUJDI-QWWZWVQMSA-N
SMILES:
OC[C@H]([C@H](N=[N+]=[N-])CO)N=[N+]=[N-]
Properties
Complexity:
194
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
172.071g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
172.148g/mol
Monoisotopic Mass:
172.071g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
69.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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