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113798-77-9 | 1,3-Dioxolane, 4-[[4-(2-methoxyethyl)phenoxy]methyl]-2,2-dimethyl-, (S)- (9CI)
CAS No: 113798-77-9 Catalog No: AG0009P9 MDL No:
Product Description
Catalog Number:
AG0009P9
Chemical Name:
1,3-Dioxolane, 4-[[4-(2-methoxyethyl)phenoxy]methyl]-2,2-dimethyl-, (S)- (9CI)
CAS Number:
113798-77-9
Molecular Formula:
C15H22O4
Molecular Weight:
266.3328
IUPAC Name:
4-[[4-(2-methoxyethyl)phenoxy]methyl]-2,2-dimethyl-1,3-dioxolane
InChI:
InChI=1S/C15H22O4/c1-15(2)18-11-14(19-15)10-17-13-6-4-12(5-7-13)8-9-16-3/h4-7,14H,8-11H2,1-3H3
InChI Key:
RLXOFUHREFFFSU-UHFFFAOYSA-N
SMILES:
COCCc1ccc(cc1)OC[C@H]1COC(O1)(C)C
Properties
Complexity:
259
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
266.152g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
266.337g/mol
Monoisotopic Mass:
266.152g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
36.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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