1,3-Butanediol, 4-(phenylmethoxy)-, (R)-


Chemical Name: 1,3-Butanediol, 4-(phenylmethoxy)-, (R)-
CAS Number: 81096-93-7
Product Number: AG003CA5(AGN-PC-0OIHRB)
Synonyms:
MDL No:
Molecular Formula: C11H16O3
Molecular Weight: 196.24294

Identification/Properties


Properties
BP:
356.369°C at 760 mmHg
Storage:
-10 ℃;
Computed Properties
Molecular Weight:
196.246g/mol
XLogP3:
0.6
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
6
Exact Mass:
196.11g/mol
Monoisotopic Mass:
196.11g/mol
Topological Polar Surface Area:
49.7A^2
Heavy Atom Count:
14
Formal Charge:
0
Complexity:
133
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#:
N/A
Hazard Statements:
H302-H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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