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Home > Other Heterocycles > 278169-73-6
278169-73-6 | Spiro[2.4]hepta-4,6-diene, 1-phenyl-, (1R)-
CAS No: 278169-73-6 Catalog No: AG002UU4 MDL No:
Product Description
Catalog Number:
AG002UU4
Chemical Name:
Spiro[2.4]hepta-4,6-diene, 1-phenyl-, (1R)-
CAS Number:
278169-73-6
Molecular Formula:
C13H12
Molecular Weight:
168.2344
IUPAC Name:
(2R)-2-phenylspiro[2.4]hepta-4,6-diene
InChI:
InChI=1S/C13H12/c1-2-6-11(7-3-1)12-10-13(12)8-4-5-9-13/h1-9,12H,10H2/t12-/m1/s1
InChI Key:
XPBASLQLELWJJU-GFCCVEGCSA-N
SMILES:
C1=CC2(C=C1)C[C@@H]2c1ccccc1
Properties
Complexity:
241
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
168.094g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
168.239g/mol
Monoisotopic Mass:
168.094g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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