(1,3-Dioxolan-4-yl) methanol

CAT: 0127-OR1101903Size: 100 gDry Ice: NoHazardous: No

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CAT#:0127-OR1101903Size:100 g

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CAS Number

5464-28-8

MDL Number

MFCD00003218

Purity

95% (mixture)

Smiles

OCC1OCOC1

Chemical Information

1,3-Dioxolane-4-methanol

condensation product of glycerin & formaldehyde; teratogenic action

CAS Number	5464-28-8
PubChem CID	21618
IUPAC Name	1,3-dioxolan-4-ylmethanol
Molecular Formula	C4H8O3
Molecular Weight	104.10
XLogP	-0.8
Topological Polar Surface Area	38.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Heavy Atom Count	7
Formal Charge	0
Complexity	54

SMILES

C1C(OCO1)CO

InChI

InChI=1S/C4H8O3/c5-1-4-2-6-3-7-4/h4-5H,1-3H2

InChIKey

BOHGAOWOIJMTPZ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 5464-28-8

CID: 21618

Formula: C4H8O3

MW: 104.10

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	104.10
XLogP3	-0.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	104.047344113
Monoisotopic Mass	104.047344113
Topological Polar Surface Area	38.7 Å²
Heavy Atom Count	7
Formal Charge	0
Complexity	54.9
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
OR33487-01	[4'- (1,3-Dioxolan-2-yl) -[1,1'-biphenyl]-4-yl]methanol
OR1064437-01	(2-Methyl-1,3-dioxolan-2-yl) methanol
OR25078-01	4- (1,3-Dioxolan-2-yl) benzonitrile
OR73971-01	4- (1,3-Dioxolan-2-yl) piperidine
OR1091668-01	4- (1,3-dioxolan-2-yl) benzohydrazide
OR1044283-01	4- (1,3-Dioxolan-2-yl) benzaldehyde
OR14826	4- (1,3-Dioxolan-2-yl) butanal
OR111317	4- (1,3-Dioxolan-2-yl) aniline
OR74683-01	(1,4-Dioxan-2-yl) methanol
OR1073017-01	4- (1,3-Dioxolan-2-yl) piperidine hydrochloride

Catalog	Name
KHD06357-01	[4- (1,3-Dioxolan-2-yl) cyclohexyl]methanol
sc-317214	[4'- (1,3-Dioxolan-2-yl) [1,1'-biphenyl]-4-yl]-methanol
RID75070-01	[2- (1,3-Dioxolan-2-yl) -1,3-thiazol-4-yl]methanol
RG-E140471-01	(4- (chloromethyl) -2-methyl-1,3-dioxolan-2-yl) methanol
TRC-H918110-1G	[2-(Hydroxymethyl)-2-methyl-1,3-dioxolan-4-yl]methanol
TRC-C187560-250MG	(4-(chloromethyl)-2-methyl-1,3-dioxolan-2-yl)methanol
IBA86851-01	(2-Phenyl-1,3-dioxolan-2-yl) methanol
AAA47043-01	[2,2-Bis (propan-2-yl) -1,3-dioxolan-4-yl]methanol
QBA27832-01	(1,3-diphenylpyrazol-4-yl) methanol
TRC-A541280-100MG	[(2R,4R)-4-[2-Amino-6-(cyclopropylamino)purin-9-yl]-1,3-dioxolan-2-yl]methanol