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100538-37-2 | 1-Dibenzofuranol, 1-acetate
CAS No: 100538-37-2 Catalog No: AG0002AD MDL No:
Product Description
Catalog Number:
AG0002AD
Chemical Name:
1-Dibenzofuranol, 1-acetate
CAS Number:
100538-37-2
Molecular Formula:
C14H10O3
Molecular Weight:
226.2274
IUPAC Name:
acetic acid;dibenzofuran-1-ol
InChI:
InChI=1S/C12H8O2.C2H4O2/c13-9-5-3-7-11-12(9)8-4-1-2-6-10(8)14-11;1-2(3)4/h1-7,13H;1H3,(H,3,4)
InChI Key:
HYJDVFXSOUCRMG-UHFFFAOYSA-N
SMILES:
CC(=O)Oc1cccc2c1c1ccccc1o2
Properties
Complexity:
247
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.074g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
244.246g/mol
Monoisotopic Mass:
244.074g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
70.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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