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Home > Other Heterocycles > 37545-92-9
37545-92-9 | 2-phenyl-1-oxaspiro[2.5]octane
CAS No: 37545-92-9 Catalog No: AG00JWBD MDL No:MFCD11226354
Product Description
Catalog Number:
AG00JWBD
Chemical Name:
2-phenyl-1-oxaspiro[2.5]octane
CAS Number:
37545-92-9
Molecular Formula:
C13H16O
Molecular Weight:
188.2655
MDL Number:
MFCD11226354
IUPAC Name:
2-phenyl-1-oxaspiro[2.5]octane
InChI:
InChI=1S/C13H16O/c1-3-7-11(8-4-1)12-13(14-12)9-5-2-6-10-13/h1,3-4,7-8,12H,2,5-6,9-10H2
InChI Key:
NEVVTFWFRCKGLF-UHFFFAOYSA-N
SMILES:
C1CCC2(CC1)OC2c1ccccc1
NSC Number:
79438
Properties
Complexity:
199
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:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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