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88353-96-2 | 4H-1,3-Benzodioxin-4-one, 2-(2,2-dimethylpropoxy)-2-methyl-
CAS No: 88353-96-2 Catalog No: AG0046SE MDL No:
Product Description
Catalog Number:
AG0046SE
Chemical Name:
4H-1,3-Benzodioxin-4-one, 2-(2,2-dimethylpropoxy)-2-methyl-
CAS Number:
88353-96-2
Molecular Formula:
C14H18O4
Molecular Weight:
250.2903
IUPAC Name:
2-(2,2-dimethylpropoxy)-2-methyl-1,3-benzodioxin-4-one
InChI:
InChI=1S/C14H18O4/c1-13(2,3)9-16-14(4)17-11-8-6-5-7-10(11)12(15)18-14/h5-8H,9H2,1-4H3
InChI Key:
KROJRTWXTOGKTP-UHFFFAOYSA-N
SMILES:
O=C1OC(C)(OCC(C)(C)C)Oc2c1cccc2
Properties
Complexity:
320
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.121g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
250.294g/mol
Monoisotopic Mass:
250.121g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
44.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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