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120050-41-1 | Acetic acid, 2-[2-(4-methyl-1,3-dioxolan-2-yl)phenoxy]-, methyl ester
CAS No: 120050-41-1 Catalog No: AG000Q7J MDL No:
Product Description
Catalog Number:
AG000Q7J
Chemical Name:
Acetic acid, 2-[2-(4-methyl-1,3-dioxolan-2-yl)phenoxy]-, methyl ester
CAS Number:
120050-41-1
Molecular Formula:
C13H16O5
Molecular Weight:
252.2631
IUPAC Name:
methyl 2-[2-(4-methyl-1,3-dioxolan-2-yl)phenoxy]acetate
InChI:
InChI=1S/C13H16O5/c1-9-7-17-13(18-9)10-5-3-4-6-11(10)16-8-12(14)15-2/h3-6,9,13H,7-8H2,1-2H3
InChI Key:
BUQDZTFFDITYCE-UHFFFAOYSA-N
SMILES:
COC(=O)COc1ccccc1C1OCC(O1)C
Properties
Complexity:
281
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:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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