CAS
90731-57-0 Purity
96%
90731-57-0 Purity
96%
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3-Pyridinecarboxaldehyde,4-(1-methylethyl)-(9ci)
CAS
90732-15-3
Catalog Number
ACM90732153
Category
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- Synthetic Use
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What is the molecular formula of 3-Pyridinecarboxaldehyde, 4-(1-methylethyl)?
The molecular formula is C9H11NO.
What is the molecular weight of 3-Pyridinecarboxaldehyde, 4-(1-methylethyl)?
The molecular weight is 149.19 g/mol.
What is the IUPAC name of the compound?
The IUPAC name is 4-propan-2-ylpyridine-3-carbaldehyde.
What is the InChI of 3-Pyridinecarboxaldehyde, 4-(1-methylethyl)?
The InChI is InChI=1S/C9H11NO/c1-7(2)9-3-4-10-5-8(9)6-11/h3-7H,1-2H3.
What is the InChIKey of the compound?
The InChIKey is PUQKHMLOCYESRV-UHFFFAOYSA-N.
What is the Canonical SMILES of the compound?
The Canonical SMILES is CC(C)C1=C(C=NC=C1)C=O.
How many hydrogen bond donor counts are there in the compound?
There are 0 hydrogen bond donor counts.
How many hydrogen bond acceptor counts are there in the compound?
There are 2 hydrogen bond acceptor counts.
What is the topological polar surface area of the compound?
The topological polar surface area is 30 Ų.
Is the compound canonicalized?
Yes, the compound is canonicalized.
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