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Home > Other Heterocycles > 89897-18-7
89897-18-7 | {7-oxabicyclo[2.2.1]heptan-2-yl}methanol, Mixture of diastereomers
CAS No: 89897-18-7 Catalog No: AG01AUWA MDL No:MFCD24445521
Product Description
Catalog Number:
AG01AUWA
Chemical Name:
{7-oxabicyclo[2.2.1]heptan-2-yl}methanol, Mixture of diastereomers
CAS Number:
89897-18-7
Molecular Formula:
C7H12O2
Molecular Weight:
128.1690
MDL Number:
MFCD24445521
IUPAC Name:
7-oxabicyclo[2.2.1]heptan-2-ylmethanol
InChI:
InChI=1S/C7H12O2/c8-4-5-3-6-1-2-7(5)9-6/h5-8H,1-4H2
InChI Key:
VCNMKDHFISMVQL-UHFFFAOYSA-N
SMILES:
OCC1CC2OC1CC2
Properties
Complexity:
114
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
128.084g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
128.171g/mol
Monoisotopic Mass:
128.084g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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