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Phenyl 4-Methoxybenzoate

CAT: 0572-TRC-P571660-50MGSize: 50 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-P571660-50MGSize:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
4181-97-9
Hazard Statement
No Data Available
Smiles
COc1ccc(cc1)C(=O)Oc2ccccc2
Molecular Formula
C14 H12 O3
Molecular Weight
228.24
InChI
InChI=1S/C14H12O3/c1-16-12-9-7-11(8-10-12)14(15)17-13-5-3-2-4-6-13/h2-10H,1H3
Additionnal Information
IUPAC name: phenyl 4-methoxybenzoate
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

Phenyl 4-methoxybenzoate
CAS Number4181-97-9
PubChem CID346052
IUPAC Namephenyl 4-methoxybenzoate
Molecular FormulaC14H12O3
Molecular Weight228.24
XLogP3.6
Topological Polar Surface Area35.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Heavy Atom Count17
Formal Charge0
Complexity238
SMILES
COC1=CC=C(C=C1)C(=O)OC2=CC=CC=C2
InChI
InChI=1S/C14H12O3/c1-16-12-9-7-11(8-10-12)14(15)17-13-5-3-2-4-6-13/h2-10H,1H3
InChIKey
BNZYBNYNPXKWCM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Phenyl 4-methoxybenzoate
CAS: 4181-97-9
CID: 346052
Formula: C14H12O3
MW: 228.24
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight228.24
XLogP33.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass228.078644241
Monoisotopic Mass228.078644241
Topological Polar Surface Area35.5 Ų
Heavy Atom Count17
Formal Charge0
Complexity238
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

Related Products

CatalogName
TRC-S808735-5GSodium 4-Methoxybenzoate
TRC-S808735-1GSodium 4-Methoxybenzoate
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TRC-M322045-10GMethyl 4-Methoxybenzoate
TRC-L375805-10MGLevomenol 4-Methoxybenzoate
TRC-M275220-5GMethyl 4-Acetamido-2-methoxybenzoate
TRC-M286860-500MGMethyl 4-Amino-2-methoxybenzoate
TRC-M275220-25GMethyl 4-Acetamido-2-methoxybenzoate
TRC-P994268-50MGPotassium 2-hydroxy-4-methoxybenzoate
TRC-M305883-1GMethyl 4-Formyl-3-methoxybenzoate

Alternative Products

CatalogName
OR1082180-01Cyano (phenyl) methyl 4-methoxybenzoate
OR1028806-01Phenyl 2-Methoxybenzoate
ARB658442-amino-1-aza-2- (4- (5- (trifluoromethyl) (2-pyridyloxy) ) phenyl) vinyl 3-methoxybenzoate
AL BW 0325-01[4-[4- (aminomethyl) phenyl]phenyl]methanamine
sc-289662(4-[4- (Trifluoromethyl) phenyl]phenyl) sulfonylchloride
1591892- (5-Chloro-2- (4-methoxybenzamido) phenyl) -4-cyclopropyl-1,1,1-trifluorobut-3-yn-2-yl 4-Methoxybenzoate
FH HG 00S1-01[4-[4-[bis[4- (dimethylamino) phenyl]-hydroxymethyl]-N-[4-[bis[4- (dimethylamino) phenyl]-hydroxymethyl]phenyl]anilino]phenyl]-bis[4- (dimethylamino) phenyl]methanol
FH HG 00S3-01[4- (N-[4-[bis[4- (dimethylamino) phenyl]-hydroxymethyl]phenyl]anilino) phenyl]-bis[4- (dimethylamino) phenyl]methanol
291339-01(4-[4- (Trifluoromethyl) phenyl]phenyl) methylamine hydrochloride
429515-01[4- (Dimethylamino) phenyl][4- (methylamino) phenyl]-methanone

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