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31982-85-1 | (3aS,7aS)-Hexahydroisobenzofuran-1,3-dione
CAS No: 31982-85-1 Catalog No: AG003BBS MDL No:MFCD00674195
Product Description
Catalog Number:
AG003BBS
Chemical Name:
(3aS,7aS)-Hexahydroisobenzofuran-1,3-dione
CAS Number:
31982-85-1
Molecular Formula:
C8H10O3
Molecular Weight:
154.1632
MDL Number:
MFCD00674195
IUPAC Name:
(3aS,7aS)-3a,4,5,6,7,7a-hexahydro-2-benzofuran-1,3-dione
InChI:
InChI=1S/C8H10O3/c9-7-5-3-1-2-4-6(5)8(10)11-7/h5-6H,1-4H2/t5-,6-/m0/s1
InChI Key:
MUTGBJKUEZFXGO-WDSKDSINSA-N
SMILES:
O=C1OC(=O)[C@@H]2[C@@H]1CCCC2
EC Number:
238-009-9
Properties
Complexity:
187
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
154.063g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
154.165g/mol
Monoisotopic Mass:
154.063g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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