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114085-80-2 | 1-Pentanone, 1-(3,4,5-trimethoxyphenyl)-
CAS No: 114085-80-2 Catalog No: AG000AJ0 MDL No:
Product Description
Catalog Number:
AG000AJ0
Chemical Name:
1-Pentanone, 1-(3,4,5-trimethoxyphenyl)-
CAS Number:
114085-80-2
Molecular Formula:
C14H20O4
Molecular Weight:
252.3062
IUPAC Name:
1-(3,4,5-trimethoxyphenyl)pentan-1-one
InChI:
InChI=1S/C14H20O4/c1-5-6-7-11(15)10-8-12(16-2)14(18-4)13(9-10)17-3/h8-9H,5-7H2,1-4H3
InChI Key:
ZXCSAUWRJRVZLN-UHFFFAOYSA-N
SMILES:
CCCCC(=O)c1cc(OC)c(c(c1)OC)OC
Properties
Complexity:
240
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.136g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
252.31g/mol
Monoisotopic Mass:
252.136g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
44.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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