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Home > Other Heterocycles > 1934507-71-7
1934507-71-7 | 6-phenyl-3,7-dioxabicyclo[4.1.0]heptane
CAS No: 1934507-71-7 Catalog No: AG01BDCP MDL No:MFCD30180260
Product Description
Catalog Number:
AG01BDCP
Chemical Name:
6-phenyl-3,7-dioxabicyclo[4.1.0]heptane
CAS Number:
1934507-71-7
Molecular Formula:
C11H12O2
Molecular Weight:
176.2118
MDL Number:
MFCD30180260
IUPAC Name:
6-phenyl-3,7-dioxabicyclo[4.1.0]heptane
InChI:
InChI=1S/C11H12O2/c1-2-4-9(5-3-1)11-6-7-12-8-10(11)13-11/h1-5,10H,6-8H2
InChI Key:
OKKBUIMJAZZZQV-UHFFFAOYSA-N
SMILES:
O1CCC2(C(C1)O2)c1ccccc1
Properties
Complexity:
198
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
176.084g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
176.215g/mol
Monoisotopic Mass:
176.084g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
21.8A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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