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89414-48-2 | Ethanone, 1-[4-[(acetyloxy)methyl]-2-methoxyphenyl]-
CAS No: 89414-48-2 Catalog No: AG00450W MDL No:
Product Description
Catalog Number:
AG00450W
Chemical Name:
Ethanone, 1-[4-[(acetyloxy)methyl]-2-methoxyphenyl]-
CAS Number:
89414-48-2
Molecular Formula:
C12H14O4
Molecular Weight:
222.2372
IUPAC Name:
(4-acetyl-3-methoxyphenyl)methyl acetate
InChI:
InChI=1S/C12H14O4/c1-8(13)11-5-4-10(6-12(11)15-3)7-16-9(2)14/h4-6H,7H2,1-3H3
InChI Key:
ZIUNKSMTMNCVQL-UHFFFAOYSA-N
SMILES:
COc1cc(COC(=O)C)ccc1C(=O)C
Properties
Complexity:
262
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.089g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
222.24g/mol
Monoisotopic Mass:
222.089g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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