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6963-00-4 | 1,4-Dioxane-2-methanol,6-(iodomethyl)-, cis- (9CI)
CAS No: 6963-00-4 Catalog No: AG005VOE MDL No:
Product Description
Catalog Number:
AG005VOE
Chemical Name:
1,4-Dioxane-2-methanol,6-(iodomethyl)-, cis- (9CI)
CAS Number:
6963-00-4
Molecular Formula:
C6H11IO3
Molecular Weight:
258.0542
IUPAC Name:
[(2S,6S)-6-(iodomethyl)-1,4-dioxan-2-yl]methanol
InChI:
InChI=1S/C6H11IO3/c7-1-5-3-9-4-6(2-8)10-5/h5-6,8H,1-4H2/t5-,6+/m1/s1
InChI Key:
GWCBGCQGJPSGBW-RITPCOANSA-N
SMILES:
OC[C@H]1COC[C@H](O1)CI
NSC Number:
53704
Properties
Complexity:
99
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
257.975g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
258.055g/mol
Monoisotopic Mass:
257.975g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
38.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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