Home Other Building Blocks 4-(hydroxymethyl)oxan-4-ol

4-(hydroxymethyl)oxan-4-ol

CAS No.:
87216-17-9
Catalog Number:
AG01B5RW
Molecular Formula:
C6H12O3
Molecular Weight:
132.1577
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Product Description
Catalog Number:
AG01B5RW
Chemical Name:
4-(hydroxymethyl)oxan-4-ol
CAS Number:
87216-17-9
Molecular Formula:
C6H12O3
Molecular Weight:
132.1577
MDL Number:
MFCD24287620
IUPAC Name:
4-(hydroxymethyl)oxan-4-ol
InChI:
InChI=1S/C6H12O3/c7-5-6(8)1-3-9-4-2-6/h7-8H,1-5H2
InChI Key:
WGIQIRVBICUOPR-UHFFFAOYSA-N
SMILES:
OCC1(O)CCOCC1
Properties
Complexity:
86.3  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
132.079g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
132.159g/mol
Monoisotopic Mass:
132.079g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
49.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.9  
Properties