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82780-39-0 | 1,3-Dioxolane, 2,2-dimethyl-4-[2-(phenylmethoxy)ethyl]-, (S)-
CAS No: 82780-39-0 Catalog No: AG004XSF MDL No:
Product Description
Catalog Number:
AG004XSF
Chemical Name:
1,3-Dioxolane, 2,2-dimethyl-4-[2-(phenylmethoxy)ethyl]-, (S)-
CAS Number:
82780-39-0
Molecular Formula:
C14H20O3
Molecular Weight:
236.3068
IUPAC Name:
(4S)-2,2-dimethyl-4-(2-phenylmethoxyethyl)-1,3-dioxolane
InChI:
InChI=1S/C14H20O3/c1-14(2)16-11-13(17-14)8-9-15-10-12-6-4-3-5-7-12/h3-7,13H,8-11H2,1-2H3/t13-/m0/s1
InChI Key:
PQMIOFVDDSZEEA-ZDUSSCGKSA-N
SMILES:
CC1(C)OC[C@@H](O1)CCOCc1ccccc1
Properties
Complexity:
222
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
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:
5
Topological Polar Surface Area:
27.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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