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(3-ethoxy-4-methylphenyl) methanol

CAT: 0127-OR1086037Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0127-OR1086037Size:250 mg
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CAS Number
1823878-79-0
MDL Number
MFCD30078686
Purity
97%
Smiles
C1 (c (ccc (c1) CO) C) OCC

Chemical Information

(3-Ethoxy-4-methylphenyl)methanol
CAS Number1823878-79-0
PubChem CID19977707
IUPAC Name(3-ethoxy-4-methylphenyl)methanol
Molecular FormulaC10H14O2
Molecular Weight166.22
XLogP1.7
Topological Polar Surface Area29.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Heavy Atom Count12
Formal Charge0
Complexity125
SMILES
CCOC1=C(C=CC(=C1)CO)C
InChI
InChI=1S/C10H14O2/c1-3-12-10-6-9(7-11)5-4-8(10)2/h4-6,11H,3,7H2,1-2H3
InChIKey
BMKXBXGQRXZFSA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of (3-Ethoxy-4-methylphenyl)methanol
CAS: 1823878-79-0
CID: 19977707
Formula: C10H14O2
MW: 166.22
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight166.22
XLogP31.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass166.099379685
Monoisotopic Mass166.099379685
Topological Polar Surface Area29.5 Ų
Heavy Atom Count12
Formal Charge0
Complexity125
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