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168431-73-0 | 1,2-Propanediol, 3-azido-, 1-(4-methylbenzenesulfonate)
CAS No: 168431-73-0 Catalog No: AG001Y2H MDL No:
Product Description
Catalog Number:
AG001Y2H
Chemical Name:
1,2-Propanediol, 3-azido-, 1-(4-methylbenzenesulfonate)
CAS Number:
168431-73-0
Molecular Formula:
C10H13N3O4S
Molecular Weight:
271.2929
IUPAC Name:
(3-azido-2-hydroxypropyl) 4-methylbenzenesulfonate
InChI:
InChI=1S/C10H13N3O4S/c1-8-2-4-10(5-3-8)18(15,16)17-7-9(14)6-12-13-11/h2-5,9,14H,6-7H2,1H3
InChI Key:
GSOZMIFQWCNBHZ-UHFFFAOYSA-N
SMILES:
OC(CN=[N+]=[N-])COS(=O)(=O)c1ccc(cc1)C
Properties
Complexity:
392
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
271.063g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
271.291g/mol
Monoisotopic Mass:
271.063g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
86.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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