200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 82064-54-8
82064-54-8 | Ethanone, 1-[2-[(acetyloxy)methyl]-4-methoxyphenyl]-
CAS No: 82064-54-8 Catalog No: AG005CF1 MDL No:
Product Description
Catalog Number:
AG005CF1
Chemical Name:
Ethanone, 1-[2-[(acetyloxy)methyl]-4-methoxyphenyl]-
CAS Number:
82064-54-8
Molecular Formula:
C12H14O4
Molecular Weight:
222.2372
IUPAC Name:
(2-acetyl-5-methoxyphenyl)methyl acetate
InChI:
InChI=1S/C12H14O4/c1-8(13)12-5-4-11(15-3)6-10(12)7-16-9(2)14/h4-6H,7H2,1-3H3
InChI Key:
ZLUFBYGSKQIWEP-UHFFFAOYSA-N
SMILES:
COc1ccc(c(c1)COC(=O)C)C(=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
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.