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204846-40-2 | 4H-1,3-Benzodioxin-4-one, 2,2-dimethyl-5-(2-propen-1-yl)-
CAS No: 204846-40-2 Catalog No: AG0029Q1 MDL No:
Product Description
Catalog Number:
AG0029Q1
Chemical Name:
4H-1,3-Benzodioxin-4-one, 2,2-dimethyl-5-(2-propen-1-yl)-
CAS Number:
204846-40-2
Molecular Formula:
C13H14O3
Molecular Weight:
218.2485
IUPAC Name:
2,2-dimethyl-5-prop-2-enyl-1,3-benzodioxin-4-one
InChI:
InChI=1S/C13H14O3/c1-4-6-9-7-5-8-10-11(9)12(14)16-13(2,3)15-10/h4-5,7-8H,1,6H2,2-3H3
InChI Key:
PYMNQQRFFNMKMO-UHFFFAOYSA-N
SMILES:
C=CCc1cccc2c1C(=O)OC(O2)(C)C
Properties
Complexity:
296
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.094g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
218.252g/mol
Monoisotopic Mass:
218.094g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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