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77880-59-2 | 4,7-Epoxyisobenzofuran-1,3-dione, 3a,4,7,7a-tetrahydro-4,7-dimethyl-
CAS No: 77880-59-2 Catalog No: AG0056WK MDL No:MFCD00598255
Product Description
Catalog Number:
AG0056WK
Chemical Name:
4,7-Epoxyisobenzofuran-1,3-dione, 3a,4,7,7a-tetrahydro-4,7-dimethyl-
CAS Number:
77880-59-2
Molecular Formula:
C10H10O4
Molecular Weight:
194.1840
MDL Number:
MFCD00598255
IUPAC Name:
1,7-dimethyl-4,10-dioxatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
InChI:
InChI=1S/C10H10O4/c1-9-3-4-10(2,14-9)6-5(9)7(11)13-8(6)12/h3-6H,1-2H3
InChI Key:
GGKZQSNCAIFSGT-UHFFFAOYSA-N
SMILES:
O=C1OC(=O)C2C1C1(C)C=CC2(O1)C
NSC Number:
56528
Properties
Complexity:
352
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.058g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
194.186g/mol
Monoisotopic Mass:
194.058g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
4
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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