Name: Name:methyl 5-cyano-6-oxo-1,6-dihydropyridine-3-carboxylate
Brand: Angene
SKU: AG00IHFI
Rating: 90 (10 reviews)

methyl 5-cyano-6-oxo-1,6-dihydropyridine-3-carboxylate

CAS No.:

929973-87-5

Catalog Number:

AG00IHFI

Molecular Formula:

C8H6N2O3

Molecular Weight:

178.1448

Catalog Number:

AG00IHFI

Chemical Name:

methyl 5-cyano-6-oxo-1,6-dihydropyridine-3-carboxylate

CAS Number:

929973-87-5

Molecular Formula:

C8H6N2O3

Molecular Weight:

178.1448

MDL Number:

MFCD09040596

IUPAC Name:

methyl 5-cyano-6-oxo-1H-pyridine-3-carboxylate

InChI:

InChI=1S/C8H6N2O3/c1-13-8(12)6-2-5(3-9)7(11)10-4-6/h2,4H,1H3,(H,10,11)

InChI Key:

LVRFNIGGWFTAGC-UHFFFAOYSA-N

SMILES:

COC(=O)c1cc(C#N)c(=O)[nH]c1

Complexity:

370

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

178.038g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

178.147g/mol

Monoisotopic Mass:

178.038g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

79.2A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

-0.3