Vanillin for synthesis 98.0%

CAT: 0459-030569-01Size: 100 gDry Ice: NoHazardous: No

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CAS Number

121-33-5

Chemical Information

Vanillin

Vanillin is a member of the class of benzaldehydes carrying methoxy and hydroxy substituents at positions 3 and 4 respectively. It has a role as an antioxidant, a flavouring agent, an anticonvulsant, an anti-inflammatory agent and a plant metabolite. It is a member of benzaldehydes, a monomethoxybenzene and a member of phenols.

CAS Number	121-33-5
PubChem CID	1183
IUPAC Name	4-hydroxy-3-methoxybenzaldehyde
Molecular Formula	C8H8O3
Molecular Weight	152.15
XLogP	1.2
Topological Polar Surface Area	46.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Heavy Atom Count	11
Formal Charge	0
Complexity	135

SMILES

COC1=C(C=CC(=C1)C=O)O

InChI

InChI=1S/C8H8O3/c1-11-8-4-6(5-9)2-3-7(8)10/h2-5,10H,1H3

InChIKey

MWOOGOJBHIARFG-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 121-33-5

CID: 1183

Formula: C8H8O3

MW: 152.15

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	152.15
XLogP3	1.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	152.047344113
Monoisotopic Mass	152.047344113
Topological Polar Surface Area	46.5 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	135
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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121080 500	Vanillin For Synthesis
1195E 00100	Ethyl Vanillin 98.0% Extrapure
V00720-01	Vanillin 98%
02823 00100	Vanillin 99% For Synthesis
57056-01	Ethyl Vanillin extrapure, 98%
1746F 00100	98% For Synthesis
LC-10409.1	Squalene 98 % for synthesis
01267 00500	Furfurylamine 98% For Synthesis
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01854 00500	Nitrobenzene 98% For Synthesis

Vanillin for synthesis 98.0%

Chemical Information

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