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158300-17-5 | 2-Buten-1-ol, 3-iodo-4-[(tetrahydro-2H-pyran-2-yl)oxy]-, (2Z)-
CAS No: 158300-17-5 Catalog No: AG001Q45 MDL No:
Product Description
Catalog Number:
AG001Q45
Chemical Name:
2-Buten-1-ol, 3-iodo-4-[(tetrahydro-2H-pyran-2-yl)oxy]-, (2Z)-
CAS Number:
158300-17-5
Molecular Formula:
C9H15IO3
Molecular Weight:
298.1181
IUPAC Name:
3-iodo-4-(oxan-2-yloxy)but-2-en-1-ol
InChI:
InChI=1S/C9H15IO3/c10-8(4-5-11)7-13-9-3-1-2-6-12-9/h4,9,11H,1-3,5-7H2
InChI Key:
YDRIBYPUAWAMDB-UHFFFAOYSA-N
SMILES:
OC/C=C(/COC1CCCCO1)\I
Properties
Complexity:
170
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
298.007g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
298.12g/mol
Monoisotopic Mass:
298.007g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
38.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
1.5
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