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122833-69-6 | 1,4-Benzodioxin-2-methanol, 2-acetate
CAS No: 122833-69-6 Catalog No: AG000JKC MDL No:
Product Description
Catalog Number:
AG000JKC
Chemical Name:
1,4-Benzodioxin-2-methanol, 2-acetate
CAS Number:
122833-69-6
Molecular Formula:
C11H10O4
Molecular Weight:
206.1947
IUPAC Name:
acetic acid;1,4-benzodioxin-3-ylmethanol
InChI:
InChI=1S/C9H8O3.C2H4O2/c10-5-7-6-11-8-3-1-2-4-9(8)12-7;1-2(3)4/h1-4,6,10H,5H2;1H3,(H,3,4)
InChI Key:
NDBOOQJVBPLDKN-UHFFFAOYSA-N
SMILES:
CC(=O)OCC1=COc2c(O1)cccc2
Properties
Complexity:
219
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.068g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
224.212g/mol
Monoisotopic Mass:
224.068g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
76A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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