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(2- (Methoxymethyl) phenyl) methanol

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CAS Number
62172-88-7
MDL Number
MFCD18825431
Smiles
C1ccc (c (c1) CO) COC

Chemical Information

[2-(Methoxymethyl)phenyl]methanol
CAS Number62172-88-7
PubChem CID13681092
IUPAC Name[2-(methoxymethyl)phenyl]methanol
Molecular FormulaC9H12O2
Molecular Weight152.19
XLogP0.7
Topological Polar Surface Area29.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Heavy Atom Count11
Formal Charge0
Complexity104
SMILES
COCC1=CC=CC=C1CO
InChI
InChI=1S/C9H12O2/c1-11-7-9-5-3-2-4-8(9)6-10/h2-5,10H,6-7H2,1H3
InChIKey
GYPVNVDWCITVPO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of [2-(Methoxymethyl)phenyl]methanol
CAS: 62172-88-7
CID: 13681092
Formula: C9H12O2
MW: 152.19
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight152.19
XLogP30.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass152.083729621
Monoisotopic Mass152.083729621
Topological Polar Surface Area29.5 Ų
Heavy Atom Count11
Formal Charge0
Complexity104
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