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29733-61-7 | Benzenediol, iodo-, diacetate
CAS No: 29733-61-7 Catalog No: AG002Z9P MDL No:
Product Description
Catalog Number:
AG002Z9P
Chemical Name:
Benzenediol, iodo-, diacetate
CAS Number:
29733-61-7
Molecular Formula:
C10H9IO4
Molecular Weight:
320.0805
IUPAC Name:
acetic acid;3-iodobenzene-1,2-diol
InChI:
InChI=1S/C6H5IO2.2C2H4O2/c7-4-2-1-3-5(8)6(4)9;2*1-2(3)4/h1-3,8-9H;2*1H3,(H,3,4)
InChI Key:
FHOQRDGXVINLMD-UHFFFAOYSA-N
SMILES:
CC(=O)Oc1c(cccc1I)OC(=O)C
Properties
Complexity:
128
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
355.976g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
356.112g/mol
Monoisotopic Mass:
355.976g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
115A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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