CAS
918793-01-8 Purity
96%
918793-01-8 Purity
96%
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Cyclohepta[b]pyrrol-8(1H)-one,7-hydroxy-3-methyl-(7ci)
CAS
91880-83-0
Catalog Number
ACM91880830
Category
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- Synthetic Use
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What is the molecular formula of the compound?
The molecular formula is C10H9NO2.
What are the synonyms of the compound?
The synonyms are 91880-83-0 and 7-Hydroxy-3-methylcyclohepta[b]pyrrol-8(1H)-one.
What is the molecular weight of the compound?
The molecular weight is 175.18 g/mol.
What is the IUPAC name of the compound?
The IUPAC name is 8-hydroxy-3-methyl-1H-cyclohepta[b]pyrrol-7-one.
What is the InChI of the compound?
The InChI is InChI=1S/C10H9NO2/c1-6-5-11-9-7(6)3-2-4-8(12)10(9)13/h2-5,11H,1H3,(H,12,13).
What is the InChIKey of the compound?
The InChIKey is TUZNWBLANTXYLG-UHFFFAOYSA-N.
What is the Canonical SMILES of the compound?
The Canonical SMILES is CC1=CNC2=C(C(=O)C=CC=C12)O.
What is the XLogP3-AA value of the compound?
The XLogP3-AA value is 0.8.
How many hydrogen bond donor counts does the compound have?
The compound has 2 hydrogen bond donor counts.
How many hydrogen bond acceptor counts does the compound have?
The compound has 3 hydrogen bond acceptor counts.
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