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3-Hydroxy-4-methoxybenzenepropanol

CAT: 0572-TRC-H946060-250MGSize: 250 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-H946060-250MGSize:250 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
57627-75-5
Hazard Statement
No Data Available
Smiles
OC1=C(OC)C=CC(CCCO)=C1
Molecular Formula
C10H14O3
Molecular Weight
182.22
InChI
InChI=1S/C10H14O3/c1-13-10-5-4-8(3-2-6-11)7-9(10)12/h4-5,7,11-12H,2-3,6H2,1H3
Additionnal Information
IUPAC name: 5-(3-hydroxypropyl)-2-methoxyphenol
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

5-(3-Hydroxypropyl)-2-methoxyphenol
CAS Number57627-75-5
PubChem CID13989987
IUPAC Name5-(3-hydroxypropyl)-2-methoxyphenol
Molecular FormulaC10H14O3
Molecular Weight182.22
XLogP0.8
Topological Polar Surface Area49.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Heavy Atom Count13
Formal Charge0
Complexity138
SMILES
COC1=C(C=C(C=C1)CCCO)O
InChI
InChI=1S/C10H14O3/c1-13-10-5-4-8(3-2-6-11)7-9(10)12/h4-5,7,11-12H,2-3,6H2,1H3
InChIKey
NFWDLPLJWSIDTA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5-(3-Hydroxypropyl)-2-methoxyphenol
CAS: 57627-75-5
CID: 13989987
Formula: C10H14O3
MW: 182.22
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight182.22
XLogP30.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass182.094294304
Monoisotopic Mass182.094294304
Topological Polar Surface Area49.7 Ų
Heavy Atom Count13
Formal Charge0
Complexity138
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

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1614094-Hydroxy-3-methoxybenzenepropanol
425960-013-Hydroxy-4-methoxybenzenepropanol
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OR951852B-Amino-4-methoxybenzenepropanol
OR957211-01B-Amino-3-methoxybenzenepropanol
OR452179-01(S) -b-Amino-3-methoxybenzenepropanol
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452074-01Hydroxy-4-androstenone (Mixture of α-β 3-Hydroxy)
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