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87061-00-5 | 1-Propanone, 1-[2-hydroxy-4-[(3-methyl-2-butenyl)oxy]phenyl]-
CAS No: 87061-00-5 Catalog No: AG004N9V MDL No:
Product Description
Catalog Number:
AG004N9V
Chemical Name:
1-Propanone, 1-[2-hydroxy-4-[(3-methyl-2-butenyl)oxy]phenyl]-
CAS Number:
87061-00-5
Molecular Formula:
C14H18O3
Molecular Weight:
234.2909
IUPAC Name:
1-[2-hydroxy-4-(3-methylbut-2-enoxy)phenyl]propan-1-one
InChI:
InChI=1S/C14H18O3/c1-4-13(15)12-6-5-11(9-14(12)16)17-8-7-10(2)3/h5-7,9,16H,4,8H2,1-3H3
InChI Key:
XLGNHBKGULXHCZ-UHFFFAOYSA-N
SMILES:
CCC(=O)c1ccc(cc1O)OCC=C(C)C
Properties
Complexity:
279
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.126g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
234.295g/mol
Monoisotopic Mass:
234.126g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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