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89654-20-6 | 1-Propanone, 1-(2,5-dimethoxyphenyl)-2-methoxy-
CAS No: 89654-20-6 Catalog No: AG00465L MDL No:
Product Description
Catalog Number:
AG00465L
Chemical Name:
1-Propanone, 1-(2,5-dimethoxyphenyl)-2-methoxy-
CAS Number:
89654-20-6
Molecular Formula:
C12H16O4
Molecular Weight:
224.2530
IUPAC Name:
1-(2,5-dimethoxyphenyl)-2-methoxypropan-1-one
InChI:
InChI=1S/C12H16O4/c1-8(14-2)12(13)10-7-9(15-3)5-6-11(10)16-4/h5-8H,1-4H3
InChI Key:
JBLVFGYOTJXTOC-UHFFFAOYSA-N
SMILES:
COc1ccc(c(c1)C(=O)C(OC)C)OC
Properties
Complexity:
229
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:
5
Topological Polar Surface Area:
44.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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