(E) -2-Hydroxychalcone

CAT: 0127-OR95849-01Size: 5 gDry Ice: NoHazardous: No

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CAT#:0127-OR95849-01Size:5 g

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CAS Number

42224-53-3

MDL Number

MFCD00016449

Purity

98%

Smiles

O=C(C1=CC=CC=C1)/C=C/C2=CC=CC=C2O

Chemical Information

2-Hydroxychalcone

CAS Number	42224-53-3
PubChem CID	5367146
IUPAC Name	(E)-3-(2-hydroxyphenyl)-1-phenylprop-2-en-1-one
Molecular Formula	C15H12O2
Molecular Weight	224.25
XLogP	3.3
Topological Polar Surface Area	37.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Heavy Atom Count	17
Formal Charge	0
Complexity	277

SMILES

C1=CC=C(C=C1)C(=O)/C=C/C2=CC=CC=C2O

InChI

InChI=1S/C15H12O2/c16-14-9-5-4-8-13(14)10-11-15(17)12-6-2-1-3-7-12/h1-11,16H/b11-10+

InChIKey

UDOOPSJCRMKSGL-ZHACJKMWSA-N

Chemical Structure

2D Structure

CAS: 42224-53-3

CID: 5367146

Formula: C15H12O2

MW: 224.25

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	224.25
XLogP3	3.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	224.083729621
Monoisotopic Mass	224.083729621
Topological Polar Surface Area	37.3 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	277
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes