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88929-05-9 | 2H-Pyran, tetrahydro-2-[1-(iodoethynyl)-3-methylbutoxy]-
CAS No: 88929-05-9 Catalog No: AG0048V6 MDL No:
Product Description
Catalog Number:
AG0048V6
Chemical Name:
2H-Pyran, tetrahydro-2-[1-(iodoethynyl)-3-methylbutoxy]-
CAS Number:
88929-05-9
Molecular Formula:
C12H19IO2
Molecular Weight:
322.1825
IUPAC Name:
2-(1-iodo-5-methylhex-1-yn-3-yl)oxyoxane
InChI:
InChI=1S/C12H19IO2/c1-10(2)9-11(6-7-13)15-12-5-3-4-8-14-12/h10-12H,3-5,8-9H2,1-2H3
InChI Key:
URDYEJFDGYWBNZ-UHFFFAOYSA-N
SMILES:
IC#CC(OC1CCCCO1)CC(C)C
Properties
Complexity:
239
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
322.043g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
322.186g/mol
Monoisotopic Mass:
322.043g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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