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717910-00-4 | 4'-n-Butoxy-2'-methylacetophenone
CAS No: 717910-00-4 Catalog No: AG01EX2Z MDL No:
Product Description
Catalog Number:
AG01EX2Z
Chemical Name:
4'-n-Butoxy-2'-methylacetophenone
CAS Number:
717910-00-4
Molecular Formula:
C13H18O2
Molecular Weight:
206.2808
IUPAC Name:
1-(4-butoxy-2-methylphenyl)ethanone
InChI:
InChI=1S/C13H18O2/c1-4-5-8-15-12-6-7-13(11(3)14)10(2)9-12/h6-7,9H,4-5,8H2,1-3H3
InChI Key:
MGARBMUYMBZUSG-UHFFFAOYSA-N
SMILES:
CCCCOc1ccc(c(c1)C)C(=O)C
Properties
Complexity:
201
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.131g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
206.285g/mol
Monoisotopic Mass:
206.131g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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