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Anisaldehyde 98% Extrapure

CAT: 1278-00272 00500Size: 500 mLDry Ice: NoHazardous: No
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CAT#:1278-00272 00500Size:500 mL
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CAS Number
123-11-5
HS Code
29124910
Packaging Group
GB

Chemical Information

4-Methoxybenzaldehyde

P-methoxybenzaldehyde is a member of the class of benzaldehydes consisting of benzaldehyde itself carrying a methoxy substituent at position 4. It has a role as an insect repellent, a plant metabolite, a bacterial metabolite and a human urinary metabolite.

CAS Number123-11-5
PubChem CID31244
IUPAC Name4-methoxybenzaldehyde
Molecular FormulaC8H8O2
Molecular Weight136.15
XLogP1.8
Topological Polar Surface Area26.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count10
Formal Charge0
Complexity104
SMILES
COC1=CC=C(C=C1)C=O
InChI
InChI=1S/C8H8O2/c1-10-8-4-2-7(6-9)3-5-8/h2-6H,1H3
InChIKey
ZRSNZINYAWTAHE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-Methoxybenzaldehyde
CAS: 123-11-5
CID: 31244
Formula: C8H8O2
MW: 136.15
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight136.15
XLogP31.8
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
Complexity104
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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00272 00500Anisaldehyde 98% Extrapure
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