2-hydroxymethyl-1,3-butanediol


Chemical Name: 2-hydroxymethyl-1,3-butanediol
CAS Number: 6865-14-1
Product Number: AG006I29(AGN-PC-0WBOCZ)
Synonyms:
MDL No:
Molecular Formula: C5H12O3
Molecular Weight: 120.1470

Identification/Properties


Properties
Form:
Solid
Computed Properties
Molecular Weight:
436.074g/mol
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
20
Exact Mass:
435.312g/mol
Monoisotopic Mass:
435.312g/mol
Topological Polar Surface Area:
63.6A^2
Heavy Atom Count:
29
Formal Charge:
0
Complexity:
404
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:
2
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
N/A
Signal Word:
UN#:
N/A
Hazard Statements:
-
Precautionary Statements:
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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