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Home > Other Heterocycles > 2060040-25-5
2060040-25-5 | 3,5-dimethyl-1-phenyl-7-oxabicyclo[4.1.0]heptane
CAS No: 2060040-25-5 Catalog No: AG01BQD8 MDL No:MFCD30501300
Product Description
Catalog Number:
AG01BQD8
Chemical Name:
3,5-dimethyl-1-phenyl-7-oxabicyclo[4.1.0]heptane
CAS Number:
2060040-25-5
Molecular Formula:
C14H18O
Molecular Weight:
202.2921
MDL Number:
MFCD30501300
IUPAC Name:
3,5-dimethyl-1-phenyl-7-oxabicyclo[4.1.0]heptane
InChI:
InChI=1S/C14H18O/c1-10-8-11(2)13-14(9-10,15-13)12-6-4-3-5-7-12/h3-7,10-11,13H,8-9H2,1-2H3
InChI Key:
ZZUHHOKKVSGDTK-UHFFFAOYSA-N
SMILES:
CC1CC(C)C2C(C1)(O2)c1ccccc1
Properties
Complexity:
244
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
202.136g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
202.297g/mol
Monoisotopic Mass:
202.136g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
12.5A^2
Undefined Atom Stereocenter Count:
4
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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