1,4-Butanediol, 1-(3-pyridinyl)-


Chemical Name: 1,4-Butanediol, 1-(3-pyridinyl)-
CAS Number: 76014-83-0
Product Number: AG005GIV(AGN-PC-05418M)
Synonyms:
MDL No:
Molecular Formula: C9H13NO2
Molecular Weight: 167.2050

Identification/Properties


Properties
Storage:
Keep in dry area;2-8℃;Inert atmosphere;
Computed Properties
Molecular Weight:
167.208g/mol
XLogP3:
0
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
4
Exact Mass:
167.095g/mol
Monoisotopic Mass:
167.095g/mol
Topological Polar Surface Area:
53.4A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
119
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


NMR Spectrum


Other Analytical Data


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