Home Other Building Blocks 3-(hydroxymethyl)oxan-4-ol

3-(hydroxymethyl)oxan-4-ol

CAS No.:
86240-50-8
Catalog Number:
AG01A6LI
Molecular Formula:
C6H12O3
Molecular Weight:
132.1577
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Product Description
Catalog Number:
AG01A6LI
Chemical Name:
3-(hydroxymethyl)oxan-4-ol
CAS Number:
86240-50-8
Molecular Formula:
C6H12O3
Molecular Weight:
132.1577
MDL Number:
MFCD28361245
IUPAC Name:
3-(hydroxymethyl)oxan-4-ol
InChI:
InChI=1S/C6H12O3/c7-3-5-4-9-2-1-6(5)8/h5-8H,1-4H2
InChI Key:
XRABMQSZUPRKAS-UHFFFAOYSA-N
SMILES:
OCC1COCCC1O
NSC Number:
508634
Properties
Complexity:
84.4  
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:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3  
Properties