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126278-71-5 | 2-Propanone, 1-(4-butoxy-3-methoxyphenyl)-
CAS No: 126278-71-5 Catalog No: AG000SH3 MDL No:
Product Description
Catalog Number:
AG000SH3
Chemical Name:
2-Propanone, 1-(4-butoxy-3-methoxyphenyl)-
CAS Number:
126278-71-5
Molecular Formula:
C14H20O3
Molecular Weight:
236.3068
IUPAC Name:
1-(4-butoxy-3-methoxyphenyl)propan-2-one
InChI:
InChI=1S/C14H20O3/c1-4-5-8-17-13-7-6-12(9-11(2)15)10-14(13)16-3/h6-7,10H,4-5,8-9H2,1-3H3
InChI Key:
FRVLEISJQXXOTR-UHFFFAOYSA-N
SMILES:
CCCCOc1ccc(cc1OC)CC(=O)C
Properties
Complexity:
228
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.141g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
236.311g/mol
Monoisotopic Mass:
236.141g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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