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89084-87-7 | Acetic acid, [(2,2-dimethyl-1,3-benzodioxol-4-yl)oxy]-, ethyl ester
CAS No: 89084-87-7 Catalog No: AG00408A MDL No:
Product Description
Catalog Number:
AG00408A
Chemical Name:
Acetic acid, [(2,2-dimethyl-1,3-benzodioxol-4-yl)oxy]-, ethyl ester
CAS Number:
89084-87-7
Molecular Formula:
C13H16O5
Molecular Weight:
252.2631
IUPAC Name:
ethyl 2-[(2,2-dimethyl-1,3-benzodioxol-4-yl)oxy]acetate
InChI:
InChI=1S/C13H16O5/c1-4-15-11(14)8-16-9-6-5-7-10-12(9)18-13(2,3)17-10/h5-7H,4,8H2,1-3H3
InChI Key:
BAGKMLIQAGHSPJ-UHFFFAOYSA-N
SMILES:
CCOC(=O)COc1cccc2c1OC(O2)(C)C
Properties
Complexity:
302
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.1g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
252.266g/mol
Monoisotopic Mass:
252.1g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
54A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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