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130930-48-2 | 1,3-Dioxolan-4-one, 2-(1,1-dimethylethyl)-5-methylene-, (2R)-
CAS No: 130930-48-2 Catalog No: AG000V40 MDL No:
Product Description
Catalog Number:
AG000V40
Chemical Name:
1,3-Dioxolan-4-one, 2-(1,1-dimethylethyl)-5-methylene-, (2R)-
CAS Number:
130930-48-2
Molecular Formula:
C8H12O3
Molecular Weight:
156.1791
IUPAC Name:
(2R)-2-tert-butyl-5-methylidene-1,3-dioxolan-4-one
InChI:
InChI=1S/C8H12O3/c1-5-6(9)11-7(10-5)8(2,3)4/h7H,1H2,2-4H3/t7-/m1/s1
InChI Key:
WSNGKBUHQKTUIH-SSDOTTSWSA-N
SMILES:
O=C1O[C@@H](OC1=C)C(C)(C)C
Properties
Complexity:
200
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
156.079g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
156.181g/mol
Monoisotopic Mass:
156.079g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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