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89441-62-3 | 7-Benzofuranol, octahydro-4,6,7a-trimethyl-, acetate
CAS No: 89441-62-3 Catalog No: AG0044JX MDL No:
Product Description
Catalog Number:
AG0044JX
Chemical Name:
7-Benzofuranol, octahydro-4,6,7a-trimethyl-, acetate
CAS Number:
89441-62-3
Molecular Formula:
C13H24O4
Molecular Weight:
244.3273
IUPAC Name:
acetic acid;4,6,7a-trimethyl-3,3a,4,5,6,7-hexahydro-2H-1-benzofuran-7-ol
InChI:
InChI=1S/C11H20O2.C2H4O2/c1-7-6-8(2)10(12)11(3)9(7)4-5-13-11;1-2(3)4/h7-10,12H,4-6H2,1-3H3;1H3,(H,3,4)
InChI Key:
KWCBMDPRVVVYCS-UHFFFAOYSA-N
SMILES:
CC1CC(C)C2C(C1O)(C)OCC2.CC(=O)O
Properties
Complexity:
235
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.167g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
244.331g/mol
Monoisotopic Mass:
244.167g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
5
Undefined Bond Stereocenter Count:
0
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