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212952-58-4 | Benzene, 1-[[(3-iodo-2-propynyl)oxy]methoxy]-4-methoxy-
CAS No: 212952-58-4 Catalog No: AG007QVM MDL No:
Product Description
Catalog Number:
AG007QVM
Chemical Name:
Benzene, 1-[[(3-iodo-2-propynyl)oxy]methoxy]-4-methoxy-
CAS Number:
212952-58-4
Molecular Formula:
C11H11IO3
Molecular Weight:
318.1077
IUPAC Name:
1-(3-iodoprop-2-ynoxymethoxy)-4-methoxybenzene
InChI:
InChI=1S/C11H11IO3/c1-13-10-3-5-11(6-4-10)15-9-14-8-2-7-12/h3-6H,8-9H2,1H3
InChI Key:
LJUKTFWYDSIBRV-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)OCOCC#CI
Properties
Complexity:
223
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
317.975g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
318.11g/mol
Monoisotopic Mass:
317.975g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
27.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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