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70592-27-7 | 2-Buten-1-one, 3-(benzoyloxy)-1-phenyl-, (Z)-
CAS No: 70592-27-7 Catalog No: AG005HQY MDL No:
Product Description
Catalog Number:
AG005HQY
Chemical Name:
2-Buten-1-one, 3-(benzoyloxy)-1-phenyl-, (Z)-
CAS Number:
70592-27-7
Molecular Formula:
C17H14O3
Molecular Weight:
266.2913
IUPAC Name:
(4-oxo-4-phenylbut-2-en-2-yl) benzoate
InChI:
InChI=1S/C17H14O3/c1-13(12-16(18)14-8-4-2-5-9-14)20-17(19)15-10-6-3-7-11-15/h2-12H,1H3
InChI Key:
DQBMNJWZMNAKID-UHFFFAOYSA-N
SMILES:
C/C(=C/C(=O)c1ccccc1)/OC(=O)c1ccccc1
Properties
Complexity:
372
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
266.094g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
266.296g/mol
Monoisotopic Mass:
266.094g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.6
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