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86954-70-3 | 1,2-Dioxetane, 3-butyl-3-methyl-
CAS No: 86954-70-3 Catalog No: AG004L4G MDL No:
Product Description
Catalog Number:
AG004L4G
Chemical Name:
1,2-Dioxetane, 3-butyl-3-methyl-
CAS Number:
86954-70-3
Molecular Formula:
C7H14O2
Molecular Weight:
130.1849
IUPAC Name:
3-butyl-3-methyldioxetane
InChI:
InChI=1S/C7H14O2/c1-3-4-5-7(2)6-8-9-7/h3-6H2,1-2H3
InChI Key:
ZUPBPGWNCMSUSC-UHFFFAOYSA-N
SMILES:
CC1(CCCC)COO1
Properties
Complexity:
92.9
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
130.099g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
130.187g/mol
Monoisotopic Mass:
130.099g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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