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70107-42-5 | Methanone, phenyl(2,2,7-trimethyl-1,3,6-trioxaspiro[4.4]non-7-en-8-yl)-
CAS No: 70107-42-5 Catalog No: AG006CA1 MDL No:
Product Description
Catalog Number:
AG006CA1
Chemical Name:
Methanone, phenyl(2,2,7-trimethyl-1,3,6-trioxaspiro[4.4]non-7-en-8-yl)-
CAS Number:
70107-42-5
Molecular Formula:
C16H18O4
Molecular Weight:
274.3117
IUPAC Name:
phenyl-(2,2,7-trimethyl-1,3,6-trioxaspiro[4.4]non-7-en-8-yl)methanone
InChI:
InChI=1S/C16H18O4/c1-11-13(14(17)12-7-5-4-6-8-12)9-16(19-11)10-18-15(2,3)20-16/h4-8H,9-10H2,1-3H3
InChI Key:
VGDSGAXVMRHNBL-UHFFFAOYSA-N
SMILES:
O=C(C1=C(C)OC2(C1)COC(O2)(C)C)c1ccccc1
Properties
Complexity:
445
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
274.121g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
274.316g/mol
Monoisotopic Mass:
274.121g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
44.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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