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89539-09-3 | 4,5-dimethyl-2-(1-phenylethyl)-1,3-dioxolane
CAS No: 89539-09-3 Catalog No: AG00402B MDL No:
Product Description
Catalog Number:
AG00402B
Chemical Name:
4,5-dimethyl-2-(1-phenylethyl)-1,3-dioxolane
CAS Number:
89539-09-3
Molecular Formula:
C13H18O2
Molecular Weight:
206.2808
IUPAC Name:
4,5-dimethyl-2-(1-phenylethyl)-1,3-dioxolane
InChI:
InChI=1S/C13H18O2/c1-9(12-7-5-4-6-8-12)13-14-10(2)11(3)15-13/h4-11,13H,1-3H3
InChI Key:
FQSZRLNVLSXEPD-UHFFFAOYSA-N
SMILES:
CC(c1ccccc1)C1OC(C(O1)C)C
NSC Number:
39435
Properties
Complexity:
189
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.131g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
206.285g/mol
Monoisotopic Mass:
206.131g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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