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85234-21-5 | 3-Buten-1-one, 1-(4-methoxyphenyl)-
CAS No: 85234-21-5 Catalog No: AG004M3D MDL No:
Product Description
Catalog Number:
AG004M3D
Chemical Name:
3-Buten-1-one, 1-(4-methoxyphenyl)-
CAS Number:
85234-21-5
Molecular Formula:
C11H12O2
Molecular Weight:
176.2118
IUPAC Name:
1-(4-methoxyphenyl)but-3-en-1-one
InChI:
InChI=1S/C11H12O2/c1-3-4-11(12)9-5-7-10(13-2)8-6-9/h3,5-8H,1,4H2,2H3
InChI Key:
ASNMYXOVZLSHRI-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)C(=O)CC=C
Properties
Complexity:
179
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
176.084g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
176.215g/mol
Monoisotopic Mass:
176.084g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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