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1159550-36-3 | 2,5-Dimethoxyphenethyl acetate
CAS No: 1159550-36-3 Catalog No: AG01FEZM MDL No:
Product Description
Catalog Number:
AG01FEZM
Chemical Name:
2,5-Dimethoxyphenethyl acetate
CAS Number:
1159550-36-3
Molecular Formula:
C12H16O4
Molecular Weight:
224.2530
IUPAC Name:
2-(2,5-dimethoxyphenyl)ethyl acetate
InChI:
InChI=1S/C12H16O4/c1-9(13)16-7-6-10-8-11(14-2)4-5-12(10)15-3/h4-5,8H,6-7H2,1-3H3
InChI Key:
ZHUBTCARYVUNGR-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1CCOC(=O)C)OC
Properties
Complexity:
217
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.105g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
224.256g/mol
Monoisotopic Mass:
224.105g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
44.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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