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Ethyl 4-hydroxyphenylacetate

CAT: 0931-Fr12415-01Size: 25 gDry Ice: NoHazardous: No
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CAT#:0931-Fr12415-01Size:25 g
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CAS Number
17138-28-2
Target
Others
Related Pathways
Others
Purity
0.9989
Bioactivity
Ethyl 4-hydroxyphenylacetate is a selective inhibitor of monoamine oxidase A.
Smiles
CCOC(=O)Cc1ccc(O)cc1
Molecular Formula
C10H12O3
Molecular Weight
180.2
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Ethyl 4-hydroxyphenylacetate
CAS Number17138-28-2
PubChem CID28310
IUPAC Nameethyl 2-(4-hydroxyphenyl)acetate
Molecular FormulaC10H12O3
Molecular Weight180.20
XLogP1.9
Topological Polar Surface Area46.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Heavy Atom Count13
Formal Charge0
Complexity160
SMILES
CCOC(=O)CC1=CC=C(C=C1)O
InChI
InChI=1S/C10H12O3/c1-2-13-10(12)7-8-3-5-9(11)6-4-8/h3-6,11H,2,7H2,1H3
InChIKey
HYUPPKVFCGIMDB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Ethyl 4-hydroxyphenylacetate
CAS: 17138-28-2
CID: 28310
Formula: C10H12O3
MW: 180.20
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight180.20
XLogP31.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass180.078644241
Monoisotopic Mass180.078644241
Topological Polar Surface Area46.5 Ų
Heavy Atom Count13
Formal Charge0
Complexity160
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