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78345-30-9 | 3-Buten-2-one, 4-(3-ethoxy-2-hydroxyphenyl)-
CAS No: 78345-30-9 Catalog No: AG0053KV MDL No:
Product Description
Catalog Number:
AG0053KV
Chemical Name:
3-Buten-2-one, 4-(3-ethoxy-2-hydroxyphenyl)-
CAS Number:
78345-30-9
Molecular Formula:
C12H14O3
Molecular Weight:
206.2378
IUPAC Name:
4-(3-ethoxy-2-hydroxyphenyl)but-3-en-2-one
InChI:
InChI=1S/C12H14O3/c1-3-15-11-6-4-5-10(12(11)14)8-7-9(2)13/h4-8,14H,3H2,1-2H3
InChI Key:
IGRSFPPCXLTNII-UHFFFAOYSA-N
SMILES:
CCOc1cccc(c1O)C=CC(=O)C
Properties
Complexity:
235
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:
4
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2
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