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4-(2-Acetoxy-ethyl)phenol

CAT: 0572-TRC-A165595-100MGSize: 100 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-A165595-100MGSize:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
58556-55-1
Hazard Statement
Causes skin irritation.
Purity
>95% (HPLC)
Smiles
CC(=O)OCCc1ccc(O)cc1
Molecular Formula
C10 H12 O3
Molecular Weight
180.2
InChI
InChI=1S/C10H12O3/c1-8(11)13-7-6-9-2-4-10(12)5-3-9/h2-5,12H,6-7H2,1H3
Additionnal Information
IUPAC name: 2-(4-hydroxyphenyl)ethyl acetate
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

2-(4-Hydroxyphenyl)ethyl acetate

2-(4-hydroxyphenyl)ethyl acetate has been reported in Osmanthus heterophyllus, Croton lechleri, and other organisms with data available.

CAS Number58556-55-1
PubChem CID637753
IUPAC Name2-(4-hydroxyphenyl)ethyl 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
CC(=O)OCCC1=CC=C(C=C1)O
InChI
InChI=1S/C10H12O3/c1-8(11)13-7-6-9-2-4-10(12)5-3-9/h2-5,12H,6-7H2,1H3
InChIKey
LDLOCPJLLDCCGO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-(4-Hydroxyphenyl)ethyl acetate
CAS: 58556-55-1
CID: 637753
Formula: C10H12O3
MW: 180.20
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
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

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