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124019-21-2 | 1,3-Dioxolane, 2,2,4-trimethyl-5-[(phenylmethoxy)methyl]-, (4R,5S)-rel-
CAS No: 124019-21-2 Catalog No: AG000LFI MDL No:
Product Description
Catalog Number:
AG000LFI
Chemical Name:
1,3-Dioxolane, 2,2,4-trimethyl-5-[(phenylmethoxy)methyl]-, (4R,5S)-rel-
CAS Number:
124019-21-2
Molecular Formula:
C14H20O3
Molecular Weight:
236.3068
IUPAC Name:
2,2,4-trimethyl-5-(phenylmethoxymethyl)-1,3-dioxolane
InChI:
InChI=1S/C14H20O3/c1-11-13(17-14(2,3)16-11)10-15-9-12-7-5-4-6-8-12/h4-8,11,13H,9-10H2,1-3H3
InChI Key:
DUZGYPMPHGHLIH-UHFFFAOYSA-N
SMILES:
C[C@H]1OC(O[C@H]1COCc1ccccc1)(C)C
Properties
Complexity:
234
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.141g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
236.311g/mol
Monoisotopic Mass:
236.141g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
27.7A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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