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Home > Other Heterocycles > 21592-66-5
21592-66-5 | 4-methyl-1-phenyl-7-oxabicyclo[4.1.0]heptane
CAS No: 21592-66-5 Catalog No: AG01BQD6 MDL No:MFCD30501298
Product Description
Catalog Number:
AG01BQD6
Chemical Name:
4-methyl-1-phenyl-7-oxabicyclo[4.1.0]heptane
CAS Number:
21592-66-5
Molecular Formula:
C13H16O
Molecular Weight:
188.2655
MDL Number:
MFCD30501298
IUPAC Name:
4-methyl-1-phenyl-7-oxabicyclo[4.1.0]heptane
InChI:
InChI=1S/C13H16O/c1-10-7-8-13(12(9-10)14-13)11-5-3-2-4-6-11/h2-6,10,12H,7-9H2,1H3
InChI Key:
MQJUQCDTXVLXJK-UHFFFAOYSA-N
SMILES:
CC1CCC2(C(C1)O2)c1ccccc1
Properties
Complexity:
219
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.12g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
188.27g/mol
Monoisotopic Mass:
188.12g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
12.5A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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