CAS 125294-42-0 | 4-Pyridinecarboxylic acid, 1-methylethyl ester | CAS Number 125294-42-0

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125294-42-0 | 4-Pyridinecarboxylic acid, 1-methylethyl ester

CAS No: 125294-42-0 Catalog No: AG000NG1 MDL No:MFCD21101233

Product Description

Catalog Number:

AG000NG1

Chemical Name:

4-Pyridinecarboxylic acid, 1-methylethyl ester

CAS Number:

125294-42-0

Molecular Formula:

C9H11NO2

Molecular Weight:

165.1891

MDL Number:

MFCD21101233

IUPAC Name:

propan-2-yl pyridine-4-carboxylate

InChI:

InChI=1S/C9H11NO2/c1-7(2)12-9(11)8-3-5-10-6-4-8/h3-7H,1-2H3

InChI Key:

FBDVYRNKUYCAGB-UHFFFAOYSA-N

SMILES:

CC(OC(=O)c1ccncc1)C

Properties

Complexity:

151

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

165.079g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

165.192g/mol

Monoisotopic Mass:

165.079g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

39.2A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.7

Literature

Title	Journal
4-Pyridyl carbonyl compounds as thrips lures: effectiveness for Western flower thrips in y-tube bioassays.	Journal of agricultural and food chemistry 20080813
4-pyridyl carbonyl and related compounds as thrips lures: effectiveness for onion thrips and new zealand flower thrips in field experiments.	Journal of agricultural and food chemistry 20070725