Methyl 3-phenoxybenzoate

CAT: 0024-sc-263586ASize: 5 gDry Ice: NoHazardous: No

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CAT#:0024-sc-263586ASize:5 g

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CAS Number

50789-43-0

Chemical Information

Methyl 3-phenoxybenzoate

CAS Number	50789-43-0
PubChem CID	198261
IUPAC Name	methyl 3-phenoxybenzoate
Molecular Formula	C14H12O3
Molecular Weight	228.24
XLogP	4.2
Topological Polar Surface Area	35.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Heavy Atom Count	17
Formal Charge	0
Complexity	246

SMILES

COC(=O)C1=CC(=CC=C1)OC2=CC=CC=C2

InChI

InChI=1S/C14H12O3/c1-16-14(15)11-6-5-9-13(10-11)17-12-7-3-2-4-8-12/h2-10H,1H3

InChIKey

GWNMDCSPTJONPD-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 50789-43-0

CID: 198261

Formula: C14H12O3

MW: 228.24

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	228.24
XLogP3	4.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Exact Mass	228.078644241
Monoisotopic Mass	228.078644241
Topological Polar Surface Area	35.5 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	246
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
sc-269444	Methyl 2-phenoxybenzoate
sc-482839	Methyl 3-methyl-3- (methylamino) butanoate
sc-310859A	(3-Methyl-3-oxetanyl) methyl4-methylbenzenesulfonate
sc-310859	(3-Methyl-3-oxetanyl) methyl4-methylbenzenesulfonate
sc-312096	3-[ (3-Methyl-4-nitrophenoxy) methyl]piperidinehydrochloride
sc-346587	[ (3-bromophenyl) methyl] (methyl) amine
sc-250341	Methyl 2-methyl-3-nitrobenzoate
sc-486160	Methyl 3-Methyl-15-phenylpentadecanoate
sc-263584A	Methyl 3-methyl-2-nitrobenzoate
sc-235734	Methyl 3-methyl-2-furoate

Catalog	Name
FM70581-01	Methyl 3-phenoxybenzoate
OR52918-01	Methyl 4-phenoxybenzoate
OR1065393-01	Methyl 2-phenoxybenzoate
OR1054789-01	Methyl 3-iodo-4-phenoxybenzoate
AUB39344-01	Methyl 2-amino-5-phenoxybenzoate
PC1016874-01	Methyl 2-fluoro-4-phenoxybenzoate
OR90193-01	Methyl 2-chloro-4-phenoxybenzoate
OR322489	Methyl 5-nitro-2-phenoxybenzoate
OR323042	Methyl 5-amino-2-phenoxybenzoate
455282-01	Methyl 3-Methyl-3- (methylamino) butanoate