1(2H)-Pyridinecarboxylic acid, 3,6-dihydro-, 1,1-dimethylethyl ester


Chemical Name: 1(2H)-Pyridinecarboxylic acid, 3,6-dihydro-, 1,1-dimethylethyl ester
CAS Number: 85838-94-4
Product Number: AG0036D4(AGN-PC-00KV61)
Synonyms:
MDL No: MFCD04972245
Molecular Formula: C10H17NO2
Molecular Weight: 183.2475

Identification/Properties


Properties
BP:
241.523 °C at 760 mmHg
Storage:
2-8℃;
Form:
Liquid
Refractive Index:
1.4650 to 1.4690
Computed Properties
Molecular Weight:
183.251g/mol
XLogP3:
1.8
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
2
Exact Mass:
183.126g/mol
Monoisotopic Mass:
183.126g/mol
Topological Polar Surface Area:
29.5A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
216
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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