Name: Name:1-tert-butyl 3-ethyl 2-(3-nitropyridin-4-yl)propanedioate
Brand: Angene
SKU: AG01ABQE
Rating: 90 (10 reviews)

1-tert-butyl 3-ethyl 2-(3-nitropyridin-4-yl)propanedioate

CAS No.:

932702-14-2

Catalog Number:

AG01ABQE

Molecular Formula:

C14H18N2O6

Molecular Weight:

310.3025

Catalog Number:

AG01ABQE

Chemical Name:

1-tert-butyl 3-ethyl 2-(3-nitropyridin-4-yl)propanedioate

CAS Number:

932702-14-2

Molecular Formula:

C14H18N2O6

Molecular Weight:

310.3025

MDL Number:

MFCD26407688

IUPAC Name:

3-O-tert-butyl 1-O-ethyl 2-(3-nitropyridin-4-yl)propanedioate

InChI:

InChI=1S/C14H18N2O6/c1-5-21-12(17)11(13(18)22-14(2,3)4)9-6-7-15-8-10(9)16(19)20/h6-8,11H,5H2,1-4H3

InChI Key:

DYROSYKMPSCHIP-UHFFFAOYSA-N

SMILES:

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

Complexity:

426

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

310.116g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

310.306g/mol

Monoisotopic Mass:

310.116g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

111A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.9