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146528-25-8 | 1,3-Dioxolan-4-one, 2-(1,1-dimethylethyl)-5-methyl-
CAS No: 146528-25-8 Catalog No: AG001E3I MDL No:MFCD24503301
Product Description
Catalog Number:
AG001E3I
Chemical Name:
1,3-Dioxolan-4-one, 2-(1,1-dimethylethyl)-5-methyl-
CAS Number:
146528-25-8
Molecular Formula:
C8H14O3
Molecular Weight:
158.1950
MDL Number:
MFCD24503301
IUPAC Name:
2-tert-butyl-5-methyl-1,3-dioxolan-4-one
InChI:
InChI=1S/C8H14O3/c1-5-6(9)11-7(10-5)8(2,3)4/h5,7H,1-4H3
InChI Key:
LEWYZEQNYWGOBF-UHFFFAOYSA-N
SMILES:
O=C1OC(OC1C)C(C)(C)C
Properties
Complexity:
169
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
158.094g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
158.197g/mol
Monoisotopic Mass:
158.094g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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