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13372-46-8 | 2,4-Dimethoxyphenethyl acetate
CAS No: 13372-46-8 Catalog No: AG01FF13 MDL No:
Product Description
Catalog Number:
AG01FF13
Chemical Name:
2,4-Dimethoxyphenethyl acetate
CAS Number:
13372-46-8
Molecular Formula:
C12H16O4
Molecular Weight:
224.2530
IUPAC Name:
2-(2,4-dimethoxyphenyl)ethyl acetate
InChI:
InChI=1S/C12H16O4/c1-9(13)16-7-6-10-4-5-11(14-2)8-12(10)15-3/h4-5,8H,6-7H2,1-3H3
InChI Key:
KFMCNMHXIUIFEX-UHFFFAOYSA-N
SMILES:
COc1cc(OC)ccc1CCOC(=O)C
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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