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59340-47-5 | dimethyl 4-iodophthalate
CAS No: 59340-47-5 Catalog No: AG00ELYM MDL No:MFCD02690053
Product Description
Catalog Number:
AG00ELYM
Chemical Name:
dimethyl 4-iodophthalate
CAS Number:
59340-47-5
Molecular Formula:
C10H9IO4
Molecular Weight:
320.0805
MDL Number:
MFCD02690053
IUPAC Name:
dimethyl 4-iodobenzene-1,2-dicarboxylate
InChI:
InChI=1S/C10H9IO4/c1-14-9(12)7-4-3-6(11)5-8(7)10(13)15-2/h3-5H,1-2H3
InChI Key:
JVLGGEVUYARXHI-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(I)ccc1C(=O)OC
EC Number:
261-711-1
Properties
Complexity:
254
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
319.955g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
320.082g/mol
Monoisotopic Mass:
319.955g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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