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2- (2-Methoxyphenoxy) Benzoic Acid

CAT: 0926-FM53077-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0926-FM53077-01Size:100 mg
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CAS Number
21905-73-7
MDL Number
MFCD02220804
Smiles
COC1=CC=CC=C1OC2=CC=CC=C2C (=O) O
Molecular Formula
C14H12O4
Molecular Weight
244.24 g/mol
Controlled
No

Chemical Information

2-(2-Methoxyphenoxy)benzoic acid
CAS Number21905-73-7
PubChem CID578689
IUPAC Name2-(2-methoxyphenoxy)benzoic acid
Molecular FormulaC14H12O4
Molecular Weight244.24
XLogP3.1
Topological Polar Surface Area55.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Heavy Atom Count18
Formal Charge0
Complexity279
SMILES
COC1=CC=CC=C1OC2=CC=CC=C2C(=O)O
InChI
InChI=1S/C14H12O4/c1-17-12-8-4-5-9-13(12)18-11-7-3-2-6-10(11)14(15)16/h2-9H,1H3,(H,15,16)
InChIKey
LFWIIPSSDWXVJZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-(2-Methoxyphenoxy)benzoic acid
CAS: 21905-73-7
CID: 578689
Formula: C14H12O4
MW: 244.24
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight244.24
XLogP33.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass244.07355886
Monoisotopic Mass244.07355886
Topological Polar Surface Area55.8 Ų
Heavy Atom Count18
Formal Charge0
Complexity279
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes