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O-Anisaldehyde

CAT: 0926-FA59855-01Size: 1 KgDry Ice: NoHazardous: No
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CAT#:0926-FA59855-01Size:1 Kg
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CAS Number
135-02-4
Synonyms
2-Methoxybenzaldehyde; Salicylaldehyde methyl ether
MDL Number
MFCD00003308
Smiles
COC1=CC=CC=C1C=O
Molecular Formula
C8H8O2
Molecular Weight
136.15 g/mol
Controlled
No

Chemical Information

2-Methoxybenzaldehyde

2-Methoxybenzaldehyde is a carbonyl compound.

CAS Number135-02-4
PubChem CID8658
IUPAC Name2-methoxybenzaldehyde
Molecular FormulaC8H8O2
Molecular Weight136.15
XLogP1.7
Topological Polar Surface Area26.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count10
Formal Charge0
Complexity112
SMILES
COC1=CC=CC=C1C=O
InChI
InChI=1S/C8H8O2/c1-10-8-5-3-2-4-7(8)6-9/h2-6H,1H3
InChIKey
PKZJLOCLABXVMC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Methoxybenzaldehyde
CAS: 135-02-4
CID: 8658
Formula: C8H8O2
MW: 136.15
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight136.15
XLogP31.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass136.052429494
Monoisotopic Mass136.052429494
Topological Polar Surface Area26.3 Ų
Heavy Atom Count10
Formal Charge0
Complexity112
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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