CAS
906352-81-6 Purity
96%
906352-81-6 Purity
96%
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Benzoicacid,3-(1-methyl-1H-pyrazol-3-yl)-
CAS
906352-85-0
Catalog Number
ACM906352850
Category
Other Products
Molecular Weight
202.212
Molecular Formula
C11H10N2O2
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Specification
Synonyms
3-(3-Carboxyphenyl)-1-methyl-1H-pyrazole
IUPAC Name
3-(1-methylpyrazol-3-yl)benzoic acid
Canonical SMILES
CN1C=CC(=N1)C2=CC(=CC=C2)C(=O)O
InChI Key
NQPMBEUYTBLTAG-UHFFFAOYSA-N
Boiling Point
419.6ºC at 760 mmHg
Melting Point
167-169ºC
Flash Point
207.6ºC
Density
1.24g/cm³
Exact Mass
202.07400
H-Bond Acceptor
3
H-Bond Donor
1
What is the molecular formula of Benzoicacid,3-(1-methyl-1H-pyrazol-3-yl)?
The molecular formula is C11H10N2O2.
When was Benzoicacid,3-(1-methyl-1H-pyrazol-3-yl) created in PubChem?
It was created on 2008-02-29.
What is the IUPAC Name of Benzoicacid,3-(1-methyl-1H-pyrazol-3-yl)?
The IUPAC Name is 3-(1-methylpyrazol-3-yl)benzoic acid.
What is the InChIKey of Benzoicacid,3-(1-methyl-1H-pyrazol-3-yl)?
The InChIKey is NQPMBEUYTBLTAG-UHFFFAOYSA-N.
What is the Canonical SMILES of Benzoicacid,3-(1-methyl-1H-pyrazol-3-yl)?
The Canonical SMILES is CN1C=CC(=N1)C2=CC(=CC=C2)C(=O)O.
What is the CAS number of Benzoicacid,3-(1-methyl-1H-pyrazol-3-yl)?
The CAS number is 906352-85-0.
What is the molecular weight of Benzoicacid,3-(1-methyl-1H-pyrazol-3-yl)?
The molecular weight is 202.21 g/mol.
How many hydrogen bond donor counts does Benzoicacid,3-(1-methyl-1H-pyrazol-3-yl) have?
It has 1 hydrogen bond donor count.
What is the exact mass of Benzoicacid,3-(1-methyl-1H-pyrazol-3-yl)?
The exact mass is 202.074227566 g/mol.
Is Benzoicacid,3-(1-methyl-1H-pyrazol-3-yl) considered canonicalized in PubChem?
Yes, it is considered canonicalized.
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