CAS
89942-49-4 Purity
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89942-49-4 Purity
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1-(3-Hydroxy-4-nitrophenyl)-ethanone
CAS
89942-63-2
Catalog Number
ACM89942632
Category
Other Products
Molecular Weight
181.15
Molecular Formula
C8H7NO4
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Specification
Synonyms
1-(3-hydroxy-4-nitrophenyl)ethanone;ETHANONE, 1-(3-HYDROXY-4-NITROPHENYL)-;3-hydroxy-4-nitrophenylethanone
Density
1.380
What is the IUPAC Name of the compound with PubChem CID 21719163?
The IUPAC Name of the compound is 1-(3-hydroxy-4-nitrophenyl)ethanone.
What is the molecular formula of the compound?
The molecular formula is C8H7NO4.
What is the molecular weight of the compound?
The molecular weight is 181.15 g/mol.
What is the Canonical SMILES representation of the compound?
The Canonical SMILES representation is CC(=O)C1=CC(=C(C=C1)[N+](=O)[O-])O.
How many hydrogen bond donor counts does the compound have?
The compound has 1 hydrogen bond donor count.
What is the hydrogen bond acceptor count of the compound?
The compound has 4 hydrogen bond acceptor counts.
How many rotatable bond counts does the compound have?
The compound has 1 rotatable bond count.
What is the Topological Polar Surface Area of the compound?
The Topological Polar Surface Area is 83.1 Ų.
How many heavy atoms are present in the compound?
The compound has 13 heavy atoms.
Is the compound canonicalized?
Yes, the compound is canonicalized.
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