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116206-79-2 | 3-Penten-2-one, 4-hydroxy-3-(4-methoxyphenyl)-
CAS No: 116206-79-2 Catalog No: AG000BXE MDL No:
Product Description
Catalog Number:
AG000BXE
Chemical Name:
3-Penten-2-one, 4-hydroxy-3-(4-methoxyphenyl)-
CAS Number:
116206-79-2
Molecular Formula:
C12H14O3
Molecular Weight:
206.2378
IUPAC Name:
4-hydroxy-3-(4-methoxyphenyl)pent-3-en-2-one
InChI:
InChI=1S/C12H14O3/c1-8(13)12(9(2)14)10-4-6-11(15-3)7-5-10/h4-7,13H,1-3H3
InChI Key:
LCOXTDMXHGIGFD-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)C(=C(O)C)C(=O)C
Properties
Complexity:
260
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.094g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
206.241g/mol
Monoisotopic Mass:
206.094g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.4
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