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2-Methoxyphenol-13C6

CAT: 0572-TRC-M265303-1MGSize: 1 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-M265303-1MGSize:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
202326-52-1
Synonyms
o-Methoxy-phenol-13C6; 1-Hydroxy-2-methoxybenzene-13C6; 2-Hydroxyanisole-13C6; Anastil-13C6; Guaiacol-13C6; Guaiastil-13C6; Methylcatechol-13C6; o-Hydroxyanisole-13C6; O-Methoxyphenol-13C6; NSC 3815-13C6;
Hazard Statement
Harmful if swallowed.
Purity
>95% (HPLC)
Smiles
O[13C]1=[13C]([H])[13C]([H])=[13C]([H])[13C]([H])=[13C]1OC
Molecular Formula
C¹³C6H8O2
Molecular Weight
130.09
InChI
InChI=1S/C7H8O2/c1-9-7-5-3-2-4-6(7)8/h2-5,8H,1H3/i2+1,3+1,4+1,5+1,6+1,7+1
Additionnal Information
IUPAC name: 2-methoxyphenol-13C6
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

2-Methoxyphenol-13C6
CAS Number202326-52-1
PubChem CID71750131
IUPAC Name6-methoxy(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-trien-1-ol
Molecular FormulaC7H8O2
Molecular Weight130.093
XLogP1.3
Topological Polar Surface Area29.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count9
Formal Charge0
Complexity83
SMILES
CO[13C]1=[13CH][13CH]=[13CH][13CH]=[13C]1O
InChI
InChI=1S/C7H8O2/c1-9-7-5-3-2-4-6(7)8/h2-5,8H,1H3/i2+1,3+1,4+1,5+1,6+1,7+1
InChIKey
LHGVFZTZFXWLCP-WBJZHHNVSA-N
Chemical Structure
2D Structure
2D structure of 2-Methoxyphenol-13C6
CAS: 202326-52-1
CID: 71750131
Formula: C7H8O2
MW: 130.093
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight130.093
XLogP31.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass130.07255851
Monoisotopic Mass130.07255851
Topological Polar Surface Area29.5 Ų
Heavy Atom Count9
Formal Charge0
Complexity83
Isotope Atom Count6
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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