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88076-21-5 | Buten-1-one, 1-(5-acetyl-2-methoxyphenyl)-3-methyl-
CAS No: 88076-21-5 Catalog No: AG004ERI MDL No:
Product Description
Catalog Number:
AG004ERI
Chemical Name:
Buten-1-one, 1-(5-acetyl-2-methoxyphenyl)-3-methyl-
CAS Number:
88076-21-5
Molecular Formula:
C14H16O3
Molecular Weight:
232.2750
IUPAC Name:
1-(5-acetyl-2-methoxyphenyl)-3-methylbut-2-en-1-one
InChI:
InChI=1S/C14H16O3/c1-9(2)7-13(16)12-8-11(10(3)15)5-6-14(12)17-4/h5-8H,1-4H3
InChI Key:
ZHHUKOQYRGQWAS-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1C(=O)C=C(C)C)C(=O)C
Properties
Complexity:
326
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.11g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
232.279g/mol
Monoisotopic Mass:
232.11g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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