2-Methoxy-3-phenoxybenzoic acid

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CAS Number

875245-89-9

MDL Number

MFCD27939547

Purity

=95%

Smiles

COC1=C(C=CC=C1OC1=CC=CC=C1)C(O)=O

Chemical Information

2-Methoxy-3-phenoxybenzoic acid

CAS Number	875245-89-9
PubChem CID	72942730
IUPAC Name	2-methoxy-3-phenoxybenzoic acid
Molecular Formula	C14H12O4
Molecular Weight	244.24
XLogP	3.1
Topological Polar Surface Area	55.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Heavy Atom Count	18
Formal Charge	0
Complexity	273

SMILES

COC1=C(C=CC=C1OC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C14H12O4/c1-17-13-11(14(15)16)8-5-9-12(13)18-10-6-3-2-4-7-10/h2-9H,1H3,(H,15,16)

InChIKey

NJXXZZUBHCQFEM-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 875245-89-9

CID: 72942730

Formula: C14H12O4

MW: 244.24

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	244.24
XLogP3	3.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Exact Mass	244.07355886
Monoisotopic Mass	244.07355886
Topological Polar Surface Area	55.8 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	273
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
OR1093263	2-Methoxy-5-phenoxybenzoic acid
OR1095258-01	2-Methoxy-4-phenoxybenzoic acid
OR12936-01	2-phenoxybenzoic acid
OR17122-01	3-Phenoxybenzoic acid
OR1057405-01	2-Methyl-4-phenoxybenzoic acid
OR1103050-01	4-Methyl-3-phenoxybenzoic acid
OR1101258-01	4-Hydroxy-3-phenoxybenzoic acid
OR12606	4-Phenoxybenzoic acid
OR1093506-01	5-chloro-2-phenoxybenzoic acid
OR1098518	3-Chloro-4-phenoxybenzoic acid

Catalog	Name
CS-DL-00536	2-PHENOXYBENZOIC ACID
CS-T-60086	3-Phenoxybenzoic Acid
288260-01	2-Phenoxybenzoic acid hydrazide
HY-W014225R-01	3-Phenoxybenzoic acid (Standard)
HY-W014225S	3-Phenoxybenzoic acid-13C6