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(3-Methoxy-5-methylphenyl) methanol

CAT: 0127-OR1059723-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0127-OR1059723-01Size:100 mg
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CAS Number
119650-44-1
MDL Number
MFCD12405313
Purity
98%
Smiles
OCC1=CC(C)=CC(OC)=C1

Chemical Information

(3-Methoxy-5-methylphenyl)methanol
CAS Number119650-44-1
PubChem CID11030016
IUPAC Name(3-methoxy-5-methylphenyl)methanol
Molecular FormulaC9H12O2
Molecular Weight152.19
XLogP1.4
Topological Polar Surface Area29.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count11
Formal Charge0
Complexity114
SMILES
CC1=CC(=CC(=C1)OC)CO
InChI
InChI=1S/C9H12O2/c1-7-3-8(6-10)5-9(4-7)11-2/h3-5,10H,6H2,1-2H3
InChIKey
MNQFUZGSTPOPQG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of (3-Methoxy-5-methylphenyl)methanol
CAS: 119650-44-1
CID: 11030016
Formula: C9H12O2
MW: 152.19
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight152.19
XLogP31.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass152.083729621
Monoisotopic Mass152.083729621
Topological Polar Surface Area29.5 Ų
Heavy Atom Count11
Formal Charge0
Complexity114
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