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(2,5-Dimethoxy-4-methylphenyl) methanol

CAT: 0127-OR1051805-01Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0127-OR1051805-01Size:250 mg
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CAS Number
32176-96-8
MDL Number
MFCD21910444
Purity
95%
Smiles
OCC1=CC(OC)=C(C)C=C1OC

Chemical Information

2,5-Dimethoxy-4-methylphenylmethanol
CAS Number32176-96-8
PubChem CID14920976
IUPAC Name(2,5-dimethoxy-4-methylphenyl)methanol
Molecular FormulaC10H14O3
Molecular Weight182.22
XLogP1.3
Topological Polar Surface Area38.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count13
Formal Charge0
Complexity149
SMILES
CC1=CC(=C(C=C1OC)CO)OC
InChI
InChI=1S/C10H14O3/c1-7-4-10(13-3)8(6-11)5-9(7)12-2/h4-5,11H,6H2,1-3H3
InChIKey
VATLBNJGUSMGIH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2,5-Dimethoxy-4-methylphenylmethanol
CAS: 32176-96-8
CID: 14920976
Formula: C10H14O3
MW: 182.22
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight182.22
XLogP31.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass182.094294304
Monoisotopic Mass182.094294304
Topological Polar Surface Area38.7 Ų
Heavy Atom Count13
Formal Charge0
Complexity149
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