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2033-27-4 | 1,3-Dioxane, 5-methyl-4-phenyl-, (4R,5S)-rel-
CAS No: 2033-27-4 Catalog No: AG0028S9 MDL No:
Product Description
Catalog Number:
AG0028S9
Chemical Name:
1,3-Dioxane, 5-methyl-4-phenyl-, (4R,5S)-rel-
CAS Number:
2033-27-4
Molecular Formula:
C11H14O2
Molecular Weight:
178.2277
IUPAC Name:
(4R,5S)-5-methyl-4-phenyl-1,3-dioxane
InChI:
InChI=1S/C11H14O2/c1-9-7-12-8-13-11(9)10-5-3-2-4-6-10/h2-6,9,11H,7-8H2,1H3/t9-,11+/m0/s1
InChI Key:
KNYICOMGRQTGKP-GXSJLCMTSA-N
SMILES:
C[C@H]1COCO[C@H]1c1ccccc1
Properties
Complexity:
152
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
178.099g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
178.231g/mol
Monoisotopic Mass:
178.099g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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