Name: Name:1,2-Benzenedicarboxylic acid, 3-nitro-, 1-ethyl ester
Brand: Angene
SKU: AG001W41
Rating: 90 (10 reviews)

1,2-Benzenedicarboxylic acid, 3-nitro-, 1-ethyl ester

CAS No.:

16533-45-2

Catalog Number:

AG001W41

Molecular Formula:

C10H8NO6-

Molecular Weight:

238.1736

Catalog Number:

AG001W41

Chemical Name:

1,2-Benzenedicarboxylic acid, 3-nitro-, 1-ethyl ester

CAS Number:

16533-45-2

Molecular Formula:

C10H8NO6-

Molecular Weight:

238.1736

MDL Number:

MFCD01365751

IUPAC Name:

2-ethoxycarbonyl-6-nitrobenzoic acid

InChI:

InChI=1S/C10H9NO6/c1-2-17-10(14)6-4-3-5-7(11(15)16)8(6)9(12)13/h3-5H,2H2,1H3,(H,12,13)

InChI Key:

SZAOZGFHEAVFMM-UHFFFAOYSA-N

SMILES:

[O-]C(=O)c1c(cccc1[N+](=O)[O-])C(=O)OCC

Complexity:

323

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

239.043g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

239.183g/mol

Monoisotopic Mass:

239.043g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

109A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.4