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3- (Methoxymethyl) phenol

CAT: 0127-OR957443Size: 1 gDry Ice: NoHazardous: No
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CAT#:0127-OR957443Size:1 g
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CAS Number
57234-51-2
MDL Number
MFCD14680990
Purity
95%
Smiles
COCc1cccc(O)c1

Chemical Information

3-(Methoxymethyl)phenol
CAS Number57234-51-2
PubChem CID14090386
IUPAC Name3-(methoxymethyl)phenol
Molecular FormulaC8H10O2
Molecular Weight138.16
XLogP1
Topological Polar Surface Area29.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count10
Formal Charge0
Complexity93
SMILES
COCC1=CC(=CC=C1)O
InChI
InChI=1S/C8H10O2/c1-10-6-7-3-2-4-8(9)5-7/h2-5,9H,6H2,1H3
InChIKey
AAVSHQOVBKPECT-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-(Methoxymethyl)phenol
CAS: 57234-51-2
CID: 14090386
Formula: C8H10O2
MW: 138.16
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight138.16
XLogP31
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass138.068079557
Monoisotopic Mass138.068079557
Topological Polar Surface Area29.5 Ų
Heavy Atom Count10
Formal Charge0
Complexity93.3
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