Home Other Building Blocks 1,4-DIOXEPAN-2-YLMETHANOL

1,4-DIOXEPAN-2-YLMETHANOL

CAS No.:
1824415-60-2
Catalog Number:
AG01DZ3K
Molecular Formula:
C6H12O3
Molecular Weight:
132.1577
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Product Description
Catalog Number:
AG01DZ3K
Chemical Name:
1,4-DIOXEPAN-2-YLMETHANOL
CAS Number:
1824415-60-2
Molecular Formula:
C6H12O3
Molecular Weight:
132.1577
MDL Number:
MFCD22397819
IUPAC Name:
1,4-dioxepan-2-ylmethanol
InChI:
InChI=1S/C6H12O3/c7-4-6-5-8-2-1-3-9-6/h6-7H,1-5H2
InChI Key:
MUONEGYMUDJCKW-UHFFFAOYSA-N
SMILES:
OCC1COCCCO1
Properties
Complexity:
74.7  
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:
1  
Isotope Atom Count:
0
Molecular Weight:
132.159g/mol
Monoisotopic Mass:
132.079g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
38.7A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.6  
Properties