CAS
940064-08-4 Purity
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940064-08-4 Purity
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Isonicotinic acid phenyl ester
CAS
94-00-8
Catalog Number
ACM94008
Category
Other Products
Molecular Weight
199.21
Molecular Formula
C12H9NO2
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Specification
Synonyms
PHENYL ISONICOTINATE;PHENYL 4-PYRIDINECARBOXYLATE;ISONICOTINIC ACID PHENYL ESTER;4-Pyridinecarboxylic acid phenyl ester
IUPAC Name
phenyl pyridine-4-carboxylate
Canonical SMILES
C1=CC=C(C=C1)OC(=O)C2=CC=NC=C2
InChI Key
RGQQGHGIUCRECH-UHFFFAOYSA-N
Boiling Point
338.9ºC at 760 mmHg
Melting Point
72ºC
Flash Point
158.8ºC
Density
1.199g/cm³
Exact Mass
199.06300
H-Bond Acceptor
3
H-Bond Donor
0
What is the molecular formula of Isonicotinic acid phenyl ester?
The molecular formula of Isonicotinic acid phenyl ester is C12H9NO2.
What is the molecular weight of Isonicotinic acid phenyl ester?
The molecular weight of Isonicotinic acid phenyl ester is 199.20 g/mol.
What is the IUPAC name of Isonicotinic acid phenyl ester?
The IUPAC name of Isonicotinic acid phenyl ester is phenyl pyridine-4-carboxylate.
What is the InChI of Isonicotinic acid phenyl ester?
The InChI of Isonicotinic acid phenyl ester is InChI=1S/C12H9NO2/c14-12(10-6-8-13-9-7-10)15-11-4-2-1-3-5-11/h1-9H.
What is the InChIKey of Isonicotinic acid phenyl ester?
The InChIKey of Isonicotinic acid phenyl ester is RGQQGHGIUCRECH-UHFFFAOYSA-N.
What is the canonical SMILES of Isonicotinic acid phenyl ester?
The canonical SMILES of Isonicotinic acid phenyl ester is C1=CC=C(C=C1)OC(=O)C2=CC=NC=C2.
What is the CAS number of Isonicotinic acid phenyl ester?
The CAS number of Isonicotinic acid phenyl ester is 94-00-8.
What is the EC number of Isonicotinic acid phenyl ester?
The EC number of Isonicotinic acid phenyl ester is 679-756-4.
What is the DSSTox Substance ID of Isonicotinic acid phenyl ester?
The DSSTox Substance ID of Isonicotinic acid phenyl ester is DTXSID80341241.
Is Isonicotinic acid phenyl ester a canonicalized compound?
Yes, Isonicotinic acid phenyl ester is a canonicalized compound.
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