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143833-83-4 | 1,3-Butanediol, 2-azido-4-[(4-methoxyphenyl)methoxy]-, (2S,3R)-
CAS No: 143833-83-4 Catalog No: AG001IG3 MDL No:
Product Description
Catalog Number:
AG001IG3
Chemical Name:
1,3-Butanediol, 2-azido-4-[(4-methoxyphenyl)methoxy]-, (2S,3R)-
CAS Number:
143833-83-4
Molecular Formula:
C12H17N3O4
Molecular Weight:
267.2811
IUPAC Name:
(2S,3R)-2-azido-4-[(4-methoxyphenyl)methoxy]butane-1,3-diol
InChI:
InChI=1S/C12H17N3O4/c1-18-10-4-2-9(3-5-10)7-19-8-12(17)11(6-16)14-15-13/h2-5,11-12,16-17H,6-8H2,1H3/t11-,12-/m0/s1
InChI Key:
YZKVLFFETIQECL-RYUDHWBXSA-N
SMILES:
OC[C@@H]([C@H](COCc1ccc(cc1)OC)O)N=[N+]=[N-]
Properties
Complexity:
289
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
267.122g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
267.285g/mol
Monoisotopic Mass:
267.122g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
73.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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