CAS
89970-84-3 Purity
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89970-84-3 Purity
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5-(3-Nitrophenyl)-1H-pyrazole-3-carboxylic acid
CAS
899714-76-2
Catalog Number
ACM899714762
Category
Other Products
Molecular Weight
233.18
Molecular Formula
C10H7N3O4
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Specification
Synonyms
5-(3-NITRO-PHENYL)-1H-PYRAZOLE-3-CARBOXYLIC ACID
IUPAC Name
3-(3-nitrophenyl)-1H-pyrazole-5-carboxylic acid
Canonical SMILES
C1=CC(=CC(=C1)[N+](=O)[O-])C2=NNC(=C2)C(=O)O
InChI Key
KOYVJIGBLQRTRF-UHFFFAOYSA-N
Boiling Point
579ºC at 760 mmHg
Flash Point
304ºC
Density
1.547g/cm³
Exact Mass
233.04400
Hazard Statements
Xi: Irritant;
H-Bond Acceptor
5
H-Bond Donor
2
What is the molecular formula of the compound with PubChem CID 2771732?
The molecular formula is C10H7N3O4.
When was this compound created according to PubChem?
It was created on July 19, 2005.
What is the molecular weight of the compound?
The molecular weight is 233.18 g/mol.
What is the IUPAC name of the compound?
The IUPAC name is 3-(3-nitrophenyl)-1H-pyrazole-5-carboxylic acid.
What is the Canonical SMILES representation of the compound?
The Canonical SMILES representation is C1=CC(=CC(=C1)[N+](=O)[O-])C2=NNC(=C2)C(=O)O.
How many hydrogen bond donor counts does the compound have?
The compound has 2 hydrogen bond donor counts.
What is the XLogP3-AA value of the compound?
The XLogP3-AA value is 1.6.
What is the exact mass of the compound?
The exact mass is 233.04365571 g/mol.
Is the compound's covalently-bonded unit count equal to 1?
Yes, the compound's covalently-bonded unit count is 1.
What is the PubChem CID number of the compound?
The PubChem CID number is 2771732.
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