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2-Methoxybenzyl alcohol

CAT: 0926-FM49800-01Size: 100 gDry Ice: NoHazardous: No
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CAT#:0926-FM49800-01Size:100 g
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CAS Number
612-16-8
Synonyms
O-Anisyl alcohol
MDL Number
MFCD00004611
Smiles
COC1=CC=CC=C1CO
Molecular Formula
C8H10O2
Molecular Weight
138.16 g/mol
Controlled
No

Chemical Information

2-Methoxybenzyl alcohol
CAS Number612-16-8
PubChem CID69154
IUPAC Name(2-methoxyphenyl)methanol
Molecular FormulaC8H10O2
Molecular Weight138.16
XLogP1.1
Topological Polar Surface Area29.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count10
Formal Charge0
Complexity93
SMILES
COC1=CC=CC=C1CO
InChI
InChI=1S/C8H10O2/c1-10-8-5-3-2-4-7(8)6-9/h2-5,9H,6H2,1H3
InChIKey
WYLYBQSHRJMURN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Methoxybenzyl alcohol
CAS: 612-16-8
CID: 69154
Formula: C8H10O2
MW: 138.16
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight138.16
XLogP31.1
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

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