CAS
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4-(4-tert-Butyl-2,6-dimethyl-benzyloxy)-3-methoxy-benzaldehyde
Catalog Number
ACMA00002553
Category
Ethers
Molecular Weight
326.43
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Specification
Hazard Statements
H302
RIDADR
UN 3077 9 / PGIII
Symbol
GHS07
What is the molecular formula of the compound mentioned in the reference?
The molecular formula is C21H26O3.
What is the molecular weight of the compound?
The molecular weight is 326.4 g/mol.
What is the IUPAC name of the compound?
The IUPAC name is 4-[(4-tert-butyl-2,6-dimethylphenyl)methoxy]-3-methoxybenzaldehyde.
What is the InChI of the compound?
The InChI is InChI=1S/C21H26O3/c1-14-9-17(21(3,4)5)10-15(2)18(14)13-24-19-8-7-16(12-22)11-20(19)23-6/h7-12H,13H2,1-6H3.
What is the InChIKey of the compound?
The InChIKey is GJNINYJLSYBUBO-UHFFFAOYSA-N.
What is the Canonical SMILES of the compound?
The Canonical SMILES is CC1=CC(=CC(=C1COC2=C(C=C(C=C2)C=O)OC)C)C(C)(C)C.
How many hydrogen bond donor counts are in the compound?
There are 0 hydrogen bond donor counts.
How many hydrogen bond acceptor counts are in the compound?
There are 3 hydrogen bond acceptor counts.
What is the XLogP3-AA value of the compound?
The XLogP3-AA value is 5.2.
Is the compound canonicalized according to PubChem?
Yes, the compound is canonicalized according to PubChem.
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