Diphenylprop-2-yn-1-one

CAT: 0926-HAA33894-01Size: 1 gDry Ice: NoHazardous: No

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CAT#:0926-HAA33894-01Size:1 g

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CAS Number

7338-94-5

MDL Number

MFCD00156767

Smiles

C1=CC=C (C=C1) C#CC (=O) C2=CC=CC=C2

Molecular Formula

C15H10O

Molecular Weight

206.24 g/mol

Controlled

Chemical Information

1,3-Diphenyl-2-propyn-1-one

structure in first source

CAS Number	7338-94-5
PubChem CID	97637
IUPAC Name	1,3-diphenylprop-2-yn-1-one
Molecular Formula	C15H10O
Molecular Weight	206.24
XLogP	3.9
Topological Polar Surface Area	17.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Heavy Atom Count	16
Formal Charge	0
Complexity	292

SMILES

C1=CC=C(C=C1)C#CC(=O)C2=CC=CC=C2

InChI

InChI=1S/C15H10O/c16-15(14-9-5-2-6-10-14)12-11-13-7-3-1-4-8-13/h1-10H

InChIKey

YECVQOULKHBGEN-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 7338-94-5

CID: 97637

Formula: C15H10O

MW: 206.24

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	206.24
XLogP3	3.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Exact Mass	206.073164938
Monoisotopic Mass	206.073164938
Topological Polar Surface Area	17.1 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	292
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
GBA73946-01	1-Phenylbut-3-yn-2-one
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YAA26625-01	1- (Prop-2-yn-1-yl) azepan-2-one
TAA32729-01	1- (Prop-2-yn-1-yl) piperidin-2-one
ECA01223-01	1- (4-Fluorophenyl) prop-2-yn-1-one
PAA37718-01	1- (4-Methylphenyl) prop-2-yn-1-one
RAA46968-01	1- (4-Methoxyphenyl) prop-2-yn-1-one
HDA03867-01	1- (Pyrrolidin-1-yl) prop-2-yn-1-one
NAA70210	1- (Prop-2-yn-1-ylsulfanyl) ethan-1-one
DCA14609-01	(But-2-yn-1-yl) (prop-2-yn-1-yl) amine hydrochloride

Catalog	Name
OR1027283-01	1,3-Diphenylprop-2-Yn-1-One
OR80242-01	1,1-Diphenylprop-2-yn-1-ol
AM UC 0716-01	1- (4-methoxyphenyl) -1,3-diphenylprop-2-yn-1-ol
OR1008331-01	(E) -1,3-Diphenylprop-2-En-1-Ol
OR74153-01	1-Phenylprop-2-yn-1-one
OR1020994	1-Cyclobutylprop-2-yn-1-one
OR1072080-01	1-Phenylbut-2-yn-1-one
AQ A2 0040-01	(E) -3- (2,4-diphenylphenyl) -1,3-diphenylprop-2-en-1-one
OR7548-01	But-3-yn-2-one
OR1059267-01	1- (2-Chlorophenyl) prop-2-yn-1-one