3- (4-Methylphenoxy) benzoic acid

CAT: 0024-sc-288762Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0024-sc-288762Size:100 mg

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CAS Number

62507-86-2

Chemical Information

3-(4-Methylphenoxy)benzoic acid

CAS Number	62507-86-2
PubChem CID	292675
IUPAC Name	3-(4-methylphenoxy)benzoic acid
Molecular Formula	C14H12O3
Molecular Weight	228.24
XLogP	4.3
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=C(C=C1)OC2=CC=CC(=C2)C(=O)O

InChI

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

InChIKey

JDFNHFHOMMSCEZ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 62507-86-2

CID: 292675

Formula: C14H12O3

MW: 228.24

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	228.24
XLogP3	4.3
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
sc-226389	4- (4-Methylphenoxy) benzoic acid
sc-470005	4- (2-Methylphenoxy) Benzoic Acid
sc-356597	3- (2-Methylphenoxy) benzoic acid
sc-356597A	3- (2-Methylphenoxy) benzoic acid
sc-473643	2- (2-Methylphenoxy) Benzoic Acid
sc-231338	3- (4-Methylphenoxy) propionic acid
sc-232888	(4-Methylphenoxy) acetic acid
sc-283810	(3-methylphenoxy) acetic acid
sc-471481	3- (4-Fluorophenoxy) Benzoic Acid
sc-216674	4- (3'-Methoxybenzoyl) benzoic Acid

Catalog	Name
284177-01	4- (4-Methylphenoxy) benzoic acid
284230-01	3- (4-Methylphenoxy) benzoic acid
OR12947	2- (4-Methylphenoxy) benzoic acid
284194-01	4- (2-Methylphenoxy) Benzoic Acid
MCA50785-01	4- (3-Methylphenoxy) benzoic acid
OR1083986-01	4-[ (3-Methylphenoxy) methyl]benzoic acid
GCC02495-01	4- (4-Cyano-2-methylphenoxy) benzoic acid
232588-01	4- (4-Methylphenoxy) benzoic acid 99+% (HPLC)
JCA09064-01	2-[2- (4-Methylphenoxy) acetamido]benzoic acid
231387-01	3- (4-Methylphenoxy) benzoic acid 98+% (HPLC)