Home Other Building Blocks 1-(3,4-dimethoxyphenyl)-3-methylbutan-2-one

1-(3,4-dimethoxyphenyl)-3-methylbutan-2-one

CAS No.:
134669-78-6
Catalog Number:
AG01DVW4
Molecular Formula:
C13H18O3
Molecular Weight:
222.2802
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Product Description
Catalog Number:
AG01DVW4
Chemical Name:
1-(3,4-dimethoxyphenyl)-3-methylbutan-2-one
CAS Number:
134669-78-6
Molecular Formula:
C13H18O3
Molecular Weight:
222.2802
MDL Number:
MFCD11937586
IUPAC Name:
1-(3,4-dimethoxyphenyl)-3-methylbutan-2-one
InChI:
InChI=1S/C13H18O3/c1-9(2)11(14)7-10-5-6-12(15-3)13(8-10)16-4/h5-6,8-9H,7H2,1-4H3
InChI Key:
HLRDOFQWTWRCBL-UHFFFAOYSA-N
SMILES:
COc1cc(ccc1OC)CC(=O)C(C)C
Properties
Complexity:
225  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.126g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
222.284g/mol
Monoisotopic Mass:
222.126g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  
Properties