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13826-10-3 | 1,3-Isobenzofurandione, hexahydro-4,5-dimethyl-7-(2-methylpropyl)-
CAS No: 13826-10-3 Catalog No: AG0018FC MDL No:
Product Description
Catalog Number:
AG0018FC
Chemical Name:
1,3-Isobenzofurandione, hexahydro-4,5-dimethyl-7-(2-methylpropyl)-
CAS Number:
13826-10-3
Molecular Formula:
C14H22O3
Molecular Weight:
238.3227
IUPAC Name:
4,5-dimethyl-7-(2-methylpropyl)-3a,4,5,6,7,7a-hexahydro-2-benzofuran-1,3-dione
InChI:
InChI=1S/C14H22O3/c1-7(2)5-10-6-8(3)9(4)11-12(10)14(16)17-13(11)15/h7-12H,5-6H2,1-4H3
InChI Key:
KRJWZSVZTBPCNN-UHFFFAOYSA-N
SMILES:
CC(CC1CC(C)C(C2C1C(=O)OC2=O)C)C
Properties
Complexity:
334
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.157g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
238.327g/mol
Monoisotopic Mass:
238.157g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
5
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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