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Methyl 4-Hydroxyphenylacetate

CAT: 0572-TRC-M312920-100GSize: 100 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-M312920-100GSize:100 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
14199-15-6
Synonyms
4-Hydroxy-benzeneacetic acid methyl ester; Acetic acid, (p-hydroxyphenyl)-, methyl ester (6CI,7CI,8CI); (4-Hydroxyphenyl)acetic acid methyl ester; 4-Hydroxybenzeneacetic acid methyl ester; Methyl (4-hydroxyphenyl)acetate; Methyl (p-hydroxyphenyl)acetate; Methyl 2-(4-hydroxyphenyl)acetate; Methyl 2-(p-hydroxyphenyl)acetate; Methyl 4-hydroxybenzeneacetate; p-Hydroxyphenylacetic acid methyl ester; Methyl 4-Hydroxyphenylacetate
Hazard Statement
No Data Available
Smiles
COC(=O)Cc1ccc(O)cc1
Molecular Formula
C9 H10 O3
Molecular Weight
166.17
InChI
InChI=1S/C9H10O3/c1-12-9(11)6-7-2-4-8(10)5-3-7/h2-5,10H,6H2,1H3
Additionnal Information
IUPAC name: methyl 2-(4-hydroxyphenyl)acetate
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

Benzeneacetic acid, 4-hydroxy-, methyl ester

Methyl 2-(4-hydroxyphenyl)acetate is a methyl ester resulting from the formal condensation of the carboxy group of 4-hydroxyphenylacetic acid with methanol. It has been isolated from Penicillium chrysogenum. It has a role as a Penicillium metabolite. It is a methyl ester and a member of phenols. It is functionally related to a 4-hydroxyphenylacetic acid.

CAS Number14199-15-6
PubChem CID518900
IUPAC Namemethyl 2-(4-hydroxyphenyl)acetate
Molecular FormulaC9H10O3
Molecular Weight166.17
XLogP1.5
Topological Polar Surface Area46.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count12
Formal Charge0
Complexity148
SMILES
COC(=O)CC1=CC=C(C=C1)O
InChI
InChI=1S/C9H10O3/c1-12-9(11)6-7-2-4-8(10)5-3-7/h2-5,10H,6H2,1H3
InChIKey
XGDZEDRBLVIUMX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Benzeneacetic acid, 4-hydroxy-, methyl ester
CAS: 14199-15-6
CID: 518900
Formula: C9H10O3
MW: 166.17
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight166.17
XLogP31.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass166.062994177
Monoisotopic Mass166.062994177
Topological Polar Surface Area46.5 Ų
Heavy Atom Count12
Formal Charge0
Complexity148
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

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Alternative Products

CatalogName
FM38911-01Methyl 4-hydroxyphenylacetate
HY-W001084R-01Methyl 4-hydroxyphenylacetate (Standard)
EDA28092Methyl 3-fluoro-4-hydroxyphenylacetate
OR9882-01Methyl 3-amino-4-hydroxyphenylacetate
455266-01Methyl 3-Hydroxyphenylacetate
FM25389Methyl 2-cyclohexyl-2-hydroxyphenylacetate
HY-W157189RMethyl 2-cyclohexyl-2-hydroxyphenylacetate (Standard)
OR940897-01Methyl 4-methyl-4-nitropentanoate
OR1013824-01Methyl 4- ((4-Formylphenoxy) Methyl) Benzoate
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