3-Phenoxy-1,2-propanediol

CAT: 0127-OR1011059-01Size: 5 gDry Ice: NoHazardous: No

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CAT#:0127-OR1011059-01Size:5 g

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CAS Number

538-43-2

MDL Number

MFCD00004717

Purity

98%

Smiles

OCC(O)COC1=CC=CC=C1

Chemical Information

3-Phenoxy-1,2-propanediol

structure in first source

CAS Number	538-43-2
PubChem CID	10857
IUPAC Name	3-phenoxypropane-1,2-diol
Molecular Formula	C9H12O3
Molecular Weight	168.19
XLogP	0.7
Topological Polar Surface Area	49.7
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Heavy Atom Count	12
Formal Charge	0
Complexity	110

SMILES

C1=CC=C(C=C1)OCC(CO)O

InChI

InChI=1S/C9H12O3/c10-6-8(11)7-12-9-4-2-1-3-5-9/h1-5,8,10-11H,6-7H2

InChIKey

FNQIYTUXOKTMDM-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 538-43-2

CID: 10857

Formula: C9H12O3

MW: 168.19

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	168.19
XLogP3	0.7
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Exact Mass	168.078644241
Monoisotopic Mass	168.078644241
Topological Polar Surface Area	49.7 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	110
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
OR1030714-01	2-Methyl-1,3-Propanediol
OR950750-01	3-Allyloxy-1,2-propanediol
PC409017	3-Fluoro-1,2-propanediol
OR920067-01	2-Benzyloxy-1,3-propanediol
OR28235-01	2-pentyl-1,3-propanediol
OR1037251-01	2-Chloro-1,3-propanediol
OR28238-01	2-butyl-1,3-propanediol
OR1010706-01	3- (Isopropylamino) -1,2-Propanediol
OR75246	2-Methyl-1,3-propanediol
OR1010975-01	3-Ethoxy-1,2-Propanediol

Catalog	Name
HY-W017091	3-Phenoxy-1,2-propanediol
TRC-P318908-500MG	3-Phenoxy-1,2-propanediol(>90%)
016048	3-[4- (2-Methoxyethyl) phenoxy]-1,2-propanediol
TRC-M226140-250MG	3-[4-(2-Methoxyethyl)phenoxy]-1,2-propanediol
TRC-I823370-100MG	3-[4-[2-Isopropoxyethoxy)methyl]phenoxy]-1,2-propanediol
sc-489330	3-[4-[2-Isopropoxyethoxy) methyl]phenoxy]-1,2-propanediol
sc-490731	3-[4- (2-Methoxyethyl) phenoxy]-1,2-propanediol-d5
sc-489331	3-[4-[2-Isopropoxyethoxy) methyl]phenoxy]-1,2-propanediol-d5
TRC-I823372-25MG	3-[4-[2-Isopropoxyethoxy)methyl]phenoxy]-1,2-propanediol-d5
TRC-H946215-25MG	3-[2-Hydroxy-3-[4-(2-methoxyethyl)phenoxy]propoxy]-1,2-propanediol