CAS 101-39-3 | 2-Propenal, 2-methyl-3-phenyl- | CAS Number 101-39-3

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101-39-3 | 2-Propenal, 2-methyl-3-phenyl-

CAS No: 101-39-3 Catalog No: AG0003FF MDL No:MFCD00006976

Product Description

Catalog Number:

AG0003FF

Chemical Name:

2-Propenal, 2-methyl-3-phenyl-

CAS Number:

101-39-3

Molecular Formula:

C10H10O

Molecular Weight:

146.1858

MDL Number:

MFCD00006976

IUPAC Name:

(E)-2-methyl-3-phenylprop-2-enal

InChI:

InChI=1S/C10H10O/c1-9(8-11)7-10-5-3-2-4-6-10/h2-8H,1H3/b9-7+

InChI Key:

VLUMOWNVWOXZAU-VQHVLOKHSA-N

SMILES:

O=CC(=Cc1ccccc1)C

UNII:

1C647N9853

FEMA Number:

2697

UN Number:

1993

Properties

Complexity:

152

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

146.073g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

146.189g/mol

Monoisotopic Mass:

146.073g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

17.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.2

Literature

Title	Journal
Antifungal activity of α-methyl trans cinnamaldehyde, its ligand and metal complexes: promising growth and ergosterol inhibitors.	Biometals : an international journal on the role of metal ions in biology, biochemistry, and medicine 20111001