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Home > Other Heterocycles > 2780-97-4
2780-97-4 | 6-Oxabicyclo[3.1.0]hexane, 2-[2-(2-oxiranylmethoxy)phenyl]-
CAS No: 2780-97-4 Catalog No: AG002USS MDL No:
Product Description
Catalog Number:
AG002USS
Chemical Name:
6-Oxabicyclo[3.1.0]hexane, 2-[2-(2-oxiranylmethoxy)phenyl]-
CAS Number:
2780-97-4
Molecular Formula:
C14H16O3
Molecular Weight:
232.2750
IUPAC Name:
2-[2-(oxiran-2-ylmethoxy)phenyl]-6-oxabicyclo[3.1.0]hexane
InChI:
InChI=1S/C14H16O3/c1-2-4-12(16-8-9-7-15-9)10(3-1)11-5-6-13-14(11)17-13/h1-4,9,11,13-14H,5-8H2
InChI Key:
RUWFSBVFTNGXOS-UHFFFAOYSA-N
SMILES:
c1ccc(c(c1)OCC1CO1)C1CCC2C1O2
Properties
Complexity:
293
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.11g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
232.279g/mol
Monoisotopic Mass:
232.11g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
34.3A^2
Undefined Atom Stereocenter Count:
4
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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