1,3-Butanediol, (3S)-


Chemical Name: 1,3-Butanediol, (3S)-
CAS Number: 24621-61-2
Product Number: AG002OTX(AGN-PC-0O87E9)
Synonyms:
MDL No:
Molecular Formula: C4H10O2
Molecular Weight: 90.1210

Identification/Properties


Properties
MP:
0.07°C (estimate)
BP:
207°C at 760 mmHg
Storage:
Inert atmosphere;Room Temperature;
Form:
Liquid
Refractive Index:
n20/D 1.440(lit.)
Computed Properties
Molecular Weight:
90.122g/mol
XLogP3:
-0.4
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
2
Exact Mass:
90.068g/mol
Monoisotopic Mass:
90.068g/mol
Topological Polar Surface Area:
40.5A^2
Heavy Atom Count:
6
Formal Charge:
0
Complexity:
28.7
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
1
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
-
Hazard Statements:
H319
Precautionary Statements:
P264-P280-P337+P313-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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