Anisic aldehyde

Catalog Number	ACM123115-3
CAS	123-11-5
Structure
Synonyms	p-Anisaldehyde
IUPAC Name	4-Methoxybenzaldehyde
Molecular Weight	136.15
Molecular Formula	C8H8O2
Canonical 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
InChI Key	ZRSNZINYAWTAHE-UHFFFAOYSA-N
Boiling Point	248 °C (lit.)
Melting Point	-1 °C
Flash Point	116°C
Purity	98%
Density	1.121 g/ml
Appearance	Colorless to light yellow liquid
Storage	Store below +30 °C
Assay	0.99
Exact Mass	136.052429494
Hydrogen-Bond Acceptor Count	2
Hydrogen-Bond Donor Count	0
Monoisotopic Mass	136.052429494
Packaging	1 kg
pH	7
Refractive Index	1.571-1.574
Rotatable-Bond Count	2
Topological Polar Surface Area	26.3 Ų

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