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(2-Ethoxy-5-methoxy-phenyl) -methanol

CAT: 0127-OR1080453-01Size: 500 mgDry Ice: NoHazardous: No
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CAT#:0127-OR1080453-01Size:500 mg
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CAS Number
1094849-00-9
MDL Number
MFCD11625568
Purity
95%
Smiles
C1 (ccc (c (c1) CO) OCC) OC

Chemical Information

(2-Ethoxy-5-methoxy-phenyl)-methanol
CAS Number1094849-00-9
PubChem CID43267898
IUPAC Name(2-ethoxy-5-methoxyphenyl)methanol
Molecular FormulaC10H14O3
Molecular Weight182.22
XLogP1.3
Topological Polar Surface Area38.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Heavy Atom Count13
Formal Charge0
Complexity138
SMILES
CCOC1=C(C=C(C=C1)OC)CO
InChI
InChI=1S/C10H14O3/c1-3-13-10-5-4-9(12-2)6-8(10)7-11/h4-6,11H,3,7H2,1-2H3
InChIKey
DMFDWBXUYCVSJL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of (2-Ethoxy-5-methoxy-phenyl)-methanol
CAS: 1094849-00-9
CID: 43267898
Formula: C10H14O3
MW: 182.22
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight182.22
XLogP31.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass182.094294304
Monoisotopic Mass182.094294304
Topological Polar Surface Area38.7 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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