4- (2-methylphenoxy) benzoic acid

CAT: 0127-OR12950Size: 1 EachDry Ice: NoHazardous: No

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CAS Number

355154-50-6

MDL Number

MFCD02068125

Smiles

Cc1ccccc1Oc2ccc (cc2) C (=O) O

Chemical Information

4-(2-Methylphenoxy)benzoic acid

CAS Number	355154-50-6
PubChem CID	4339152
IUPAC Name	4-(2-methylphenoxy)benzoic acid
Molecular Formula	C14H12O3
Molecular Weight	228.24
XLogP	3.8
Topological Polar Surface Area	46.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Heavy Atom Count	17
Formal Charge	0
Complexity	256

SMILES

CC1=CC=CC=C1OC2=CC=C(C=C2)C(=O)O

InChI

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

InChIKey

NDATUJNTHWUURZ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 355154-50-6

CID: 4339152

Formula: C14H12O3

MW: 228.24

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	228.24
XLogP3	3.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	228.078644241
Monoisotopic Mass	228.078644241
Topological Polar Surface Area	46.5 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	256
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
OR12947	2- (4-Methylphenoxy) benzoic acid
OR12609-01	4- (4-methylphenoxy) benzoic acid
OR12944-01	2- (2-Methylphenoxy) benzoic acid
OR12938	3- (4-Methylphenoxy) benzoic acid
OR12942	3- (2-Methylphenoxy) benzoic acid
OR1083986-01	4-[ (3-Methylphenoxy) methyl]benzoic acid
OR1088181-01	2-[ (3-Methylphenoxy) methyl]benzoic acid
PC1011420-01	3-[ (2-Fluoro-5-methylphenoxy) methyl]benzoic acid
OR12739-01	2- (4-methylphenoxy) propionic acid
OR1076977-01	(2-Formyl-4-methylphenoxy) acetic acid

Catalog	Name
284163-01	2- (2-Methylphenoxy) Benzoic Acid
sc-470005	4- (2-Methylphenoxy) Benzoic Acid
sc-356597	3- (2-Methylphenoxy) benzoic acid
284162-01	2- (4-Methylphenoxy) Benzoic Acid
JCA09064-01	2-[2- (4-Methylphenoxy) acetamido]benzoic acid
229328-01	2- (2-Methylphenoxy) Benzoic Acid 99+% (HPLC)
284230-01	3- (4-Methylphenoxy) benzoic acid
284177-01	4- (4-Methylphenoxy) benzoic acid
MCA50785-01	4- (3-Methylphenoxy) benzoic acid
GCC02495-01	4- (4-Cyano-2-methylphenoxy) benzoic acid