CAS
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3-(3-Chloro-benzyloxy)-4-methoxy-benzaldehyde
Catalog Number
ACMA00002526
Category
Ethers
Molecular Weight
276.71
Molecular Formula
C15H12O4
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Specification
Hazard Statements
H317
RIDADR
NONH for all modes of transport
Symbol
GHS07
What is the molecular formula of the compound with PubChem CID 580678?
The molecular formula of the compound is C15H13ClO3.
What is the molecular weight of the compound?
The molecular weight of the compound is 276.71 g/mol.
What is the IUPAC name of the compound?
The IUPAC name of the compound is 3-[(3-chlorophenyl)methoxy]-4-methoxybenzaldehyde.
What is the Canonical SMILES representation of the compound?
The Canonical SMILES representation of the compound is COC1=C(C=C(C=C1)C=O)OCC2=CC(=CC=C2)Cl.
What is the InChIKey of the compound?
The InChIKey of the compound is PKGAYSJHJKNIJF-UHFFFAOYSA-N.
What is the XLogP3-AA value of the compound?
The XLogP3-AA value of the compound is 3.4.
How many hydrogen bond acceptors are present in the compound?
There are 3 hydrogen bond acceptors present in the compound.
How many rotatable bond counts does the compound have?
The compound has 5 rotatable bond counts.
What is the exact mass of the compound?
The exact mass of the compound is 276.0553220 g/mol.
Is the compound canonicalized?
Yes, the compound is canonicalized.
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