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145107-27-3 | Oxireno[e]-1,3-benzodioxole, 3a,5a,6a,6b-tetrahydro-2,2-dimethyl-, (3aR,5aR,6aR,6bR)- (9CI)
CAS No: 145107-27-3 Catalog No: AG001KKW MDL No:
Product Description
Catalog Number:
AG001KKW
Chemical Name:
Oxireno[e]-1,3-benzodioxole, 3a,5a,6a,6b-tetrahydro-2,2-dimethyl-, (3aR,5aR,6aR,6bR)- (9CI)
CAS Number:
145107-27-3
Molecular Formula:
C9H12O3
Molecular Weight:
168.1898
IUPAC Name:
(3aR,5aR,6aR,6bR)-2,2-dimethyl-3a,5a,6a,6b-tetrahydrooxireno[2,3-g][1,3]benzodioxole
InChI:
InChI=1S/C9H12O3/c1-9(2)11-6-4-3-5-7(10-5)8(6)12-9/h3-8H,1-2H3/t5-,6-,7-,8-/m1/s1
InChI Key:
GAUDXMCZQNKKEF-WCTZXXKLSA-N
SMILES:
CC1(C)O[C@H]2[C@@H](O1)[C@@H]1O[C@@H]1C=C2
Properties
Complexity:
246
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
168.079g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
168.192g/mol
Monoisotopic Mass:
168.079g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
31A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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