Home Other Building Blocks 1-cyclopropyl-2-(3,4-dimethoxyphenyl)ethanone

1-cyclopropyl-2-(3,4-dimethoxyphenyl)ethanone

CAS No.:
1184558-92-6
Catalog Number:
AG01DQSC
Molecular Formula:
C13H16O3
Molecular Weight:
220.2643
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Product Description
Catalog Number:
AG01DQSC
Chemical Name:
1-cyclopropyl-2-(3,4-dimethoxyphenyl)ethanone
CAS Number:
1184558-92-6
Molecular Formula:
C13H16O3
Molecular Weight:
220.2643
MDL Number:
MFCD12827391
IUPAC Name:
1-cyclopropyl-2-(3,4-dimethoxyphenyl)ethanone
InChI:
InChI=1S/C13H16O3/c1-15-12-6-3-9(8-13(12)16-2)7-11(14)10-4-5-10/h3,6,8,10H,4-5,7H2,1-2H3
InChI Key:
JPLFOUVBPIWOAA-UHFFFAOYSA-N
SMILES:
COc1cc(ccc1OC)CC(=O)C1CC1
Properties
Complexity:
248  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.11g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
220.268g/mol
Monoisotopic Mass:
220.11g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  
Properties