CAS 22966-01-4 | 2-Propen-1-one, 3-(2-methylphenyl)-1-phenyl-, (2E)- | CAS Number 22966-01-4

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22966-01-4 | 2-Propen-1-one, 3-(2-methylphenyl)-1-phenyl-, (2E)-

CAS No: 22966-01-4 Catalog No: AG002LQ5 MDL No:

Product Description

Catalog Number:

AG002LQ5

Chemical Name:

2-Propen-1-one, 3-(2-methylphenyl)-1-phenyl-, (2E)-

CAS Number:

22966-01-4

Molecular Formula:

C16H14O

Molecular Weight:

222.2818

IUPAC Name:

3-(2-methylphenyl)-1-phenylprop-2-en-1-one

InChI:

InChI=1S/C16H14O/c1-13-7-5-6-8-14(13)11-12-16(17)15-9-3-2-4-10-15/h2-12H,1H3

InChI Key:

JTDWYVCDAANOSR-UHFFFAOYSA-N

SMILES:

O=C(c1ccccc1)/C=C/c1ccccc1C

Properties

Complexity:

273

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

222.104g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

222.287g/mol

Monoisotopic Mass:

222.104g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

17.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.4

Literature

Title	Journal
Chemistry and biosynthesis of isoprenylated flavonoids from Japanese mulberry tree.	Proceedings of the Japan Academy. Series B, Physical and biological sciences 20091101
[Chemistry and biosynthesis of prenylflavonoids].	Yakugaku zasshi : Journal of the Pharmaceutical Society of Japan 20010701