2-Phenyl-1,3-dioxan-5-one

CAT: 1266-JH920318Size: 1 EachDry Ice: NoHazardous: No

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CAT#:1266-JH920318Size:1 Each

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CAS Number

52941-82-9

Molecular Formula

C10H10O3

Molecular Weight

178.18

Chemical Information

2-Phenyl-1,3-dioxan-5-one

CAS Number	52941-82-9
PubChem CID	11745187
IUPAC Name	2-phenyl-1,3-dioxan-5-one
Molecular Formula	C10H10O3
Molecular Weight	178.18
XLogP	1.2
Topological Polar Surface Area	35.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Heavy Atom Count	13
Formal Charge	0
Complexity	175

SMILES

C1C(=O)COC(O1)C2=CC=CC=C2

InChI

InChI=1S/C10H10O3/c11-9-6-12-10(13-7-9)8-4-2-1-3-5-8/h1-5,10H,6-7H2

InChIKey

AFDCQVDEHZTFHC-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 52941-82-9

CID: 11745187

Formula: C10H10O3

MW: 178.18

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	178.18
XLogP3	1.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	178.062994177
Monoisotopic Mass	178.062994177
Topological Polar Surface Area	35.5 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	175
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
JH600395	Cis-2-Phenyl-1,3-dioxan-5-ol
JH917082	1,3-Dioxan-5-ol, 2-methyl-
JH917079	2-methyl-[1,3]dioxan-5-ol
JH917870	5-Methyl-2-phenyl-1,2-dihydropyrazol-3-one
JH917766	5-phenyl-3,4-dihydropyridin-2 (1H) -one
JH421484	2- (dimethylamino) -5-phenyl-1,3-oxazol-4-one
JH199515	3- (3-chloro-phenyl) -4H-[1,2,4]oxadiazol-5-one
JH606615	2-phenyl-[1,2]thiazolo[5,4-b]pyridin-3-one
JH917707	1,3,2-Dioxaborolane, 4,4,5,5-tetramethyl-2-[3- (4-phenyl-1-naphthalenyl) phenyl]-
JH918797	2-Chloro-4-phenyl-6-[3- (4-phenyl-1-naphthalenyl) phenyl]-1,3,5-triazine

Catalog	Name
OR81419-01	2-Phenyl-1,3-dioxan-5-one
286493-01	2-Phenyl-1,3-dioxan-5-ol
OR906811-01	Cis-2-phenyl-1,3-dioxan-5-ol
OR1065892-01	5- (Allyloxy) -1,3-dioxan-2-one
TRC-P431910-250MG	5-(Phenylmethoxy)-1,3-dioxan-2-one
OR1005740	5,5-Dimethyl-1,3-dioxan-2-one
OR322835	5- (4- (1,3-Dioxan-2-yl) phenyl) -2-chloropyridine
TRC-D472840-5G	2,2-Dimethyl-1,3-dioxan-5-one
sc-322294	[3- (5,5-dimethyl-1,3-dioxan-2-yl) phenyl]amine
FD62735-01	1,3-Dioxan-2-one