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1-Allyl-2-Methoxybenzene

CAT: 0127-OR1024959-01Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0127-OR1024959-01Size:250 mg
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CAS Number
3698-28-0
Synonyms
1-methoxy-2-prop-2-enylbenzene
Purity
99%
Smiles
COC1=CC=CC=C1CC=C

Chemical Information

2-Allylanisole
CAS Number3698-28-0
PubChem CID97101
IUPAC Name1-methoxy-2-prop-2-enylbenzene
Molecular FormulaC10H12O
Molecular Weight148.20
XLogP3.5
Topological Polar Surface Area9.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count3
Heavy Atom Count11
Formal Charge0
Complexity120
SMILES
COC1=CC=CC=C1CC=C
InChI
InChI=1S/C10H12O/c1-3-6-9-7-4-5-8-10(9)11-2/h3-5,7-8H,1,6H2,2H3
InChIKey
BCINBJDCXBFCDT-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Allylanisole
CAS: 3698-28-0
CID: 97101
Formula: C10H12O
MW: 148.20
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight148.20
XLogP33.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count3
Exact Mass148.088815002
Monoisotopic Mass148.088815002
Topological Polar Surface Area9.2 Ų
Heavy Atom Count11
Formal Charge0
Complexity120
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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