4-Phenyl-1,3-dioxane

CAT: 0024-sc-232955Size: 25 gDry Ice: NoHazardous: No

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CAT#:0024-sc-232955Size:25 g

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CAS Number

772-00-9

Chemical Information

4-Phenyl-1,3-dioxane

CAS Number	772-00-9
PubChem CID	92840
IUPAC Name	4-phenyl-1,3-dioxane
Molecular Formula	C10H12O2
Molecular Weight	164.20
XLogP	1.7
Topological Polar Surface Area	18.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Heavy Atom Count	12
Formal Charge	0
Complexity	130

SMILES

C1COCOC1C2=CC=CC=C2

InChI

InChI=1S/C10H12O2/c1-2-4-9(5-3-1)10-6-7-11-8-12-10/h1-5,10H,6-8H2

InChIKey

RCJRILMVFLGCJY-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 772-00-9

CID: 92840

Formula: C10H12O2

MW: 164.20

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	164.20
XLogP3	1.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	164.083729621
Monoisotopic Mass	164.083729621
Topological Polar Surface Area	18.5 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	130
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
sc-487674	2,2-Dimethyl-5-phenyl-1,3-dioxane-4,6-dione
sc-487725	4-Methyl-1,3-dioxane
sc-277298	4-Chloromethyl-[1,3]dioxane
sc-335840	3,3-bis (Methoxymethyl) -2-phenyl-1,3-dioxane
sc-335299	2-Phenyl-1,3-dioxane-5,5-dimethanol
sc-484765	2,4-Dimethyl-1,3-dioxane
sc-273630	1,4-Dioxane-2,3-diol
sc-237733	1,3-Dioxane
sc-233941	Benzo-1,4-dioxane
sc-498338	1,4-Dioxane-13C4

Catalog	Name
OR1077657	4-Phenyl-1,3-dioxane
MBS5778933	1,3-Dioxane, 4-methyl-2-phenyl-
DHA68096-01	2-Phenyl-1,3-dioxane-4-carboxylic acid
TRC-P319330-25MG	2-Phenyl a-Cortolone 1,3-Dioxane
SLD57129-01	2- (Iodomethyl) -2-phenyl-1,4-dioxane
TRC-P319360-25MG	2-Phenyl 5Beta-Dihydrocortisone 1,3-Dioxane
TRC-P319360-50MG	2-Phenyl 5b-Dihydrocortisone 1,3-Dioxane
TRC-P319330-5MG	2-Phenyl Alpha-Cortolone 1,3-Dioxane
BAA12162-01	4- (Chloromethyl) -1,3-dioxane
TRC-M305158-10G	4-Methyl-1,3-dioxane