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Home > Other Heterocycles > 14700-56-2
14700-56-2 | 3,5,8-Trioxabicyclo[5.1.0]octane, 4-phenyl-
CAS No: 14700-56-2 Catalog No: AG001EHS MDL No:
Product Description
Catalog Number:
AG001EHS
Chemical Name:
3,5,8-Trioxabicyclo[5.1.0]octane, 4-phenyl-
CAS Number:
14700-56-2
Molecular Formula:
C11H12O3
Molecular Weight:
192.2112
IUPAC Name:
4-phenyl-3,5,8-trioxabicyclo[5.1.0]octane
InChI:
InChI=1S/C11H12O3/c1-2-4-8(5-3-1)11-12-6-9-10(14-9)7-13-11/h1-5,9-11H,6-7H2
InChI Key:
CUEWRDQTPIOQEG-UHFFFAOYSA-N
SMILES:
O1CC2OC2COC1c1ccccc1
Properties
Complexity:
189
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
192.079g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
192.214g/mol
Monoisotopic Mass:
192.079g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
31A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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