Name: Name:Diethyl 2-(3-nitropyridin-4-yl)malonate
Brand: Angene
SKU: AG00I9Q8
Rating: 90 (10 reviews)

Diethyl 2-(3-nitropyridin-4-yl)malonate

CAS No.:

54415-82-6

Catalog Number:

AG00I9Q8

Molecular Formula:

C12H14N2O6

Molecular Weight:

282.2494

Pack Size

Purity

Availability

Location

Price(USD)

Quantity

250mg

95%

1 week

United States

$227

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Catalog Number:

AG00I9Q8

Chemical Name:

Diethyl 2-(3-nitropyridin-4-yl)malonate

CAS Number:

54415-82-6

Molecular Formula:

C12H14N2O6

Molecular Weight:

282.2494

MDL Number:

MFCD15146656

IUPAC Name:

diethyl 2-(3-nitropyridin-4-yl)propanedioate

InChI:

InChI=1S/C12H14N2O6/c1-3-19-11(15)10(12(16)20-4-2)8-5-6-13-7-9(8)14(17)18/h5-7,10H,3-4H2,1-2H3

InChI Key:

LAVQMCRFEBZEEH-UHFFFAOYSA-N

SMILES:

CCOC(=O)C(c1ccncc1[N+](=O)[O-])C(=O)OCC

Complexity:

349

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

282.085g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

282.252g/mol

Monoisotopic Mass:

282.085g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

111A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.3