Name: Name:8-nitro-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxylic acid
Brand: Angene
SKU: AG01BEH7
Rating: 90 (10 reviews)

8-nitro-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxylic acid

CAS No.:

1094424-70-0

Catalog Number:

AG01BEH7

Molecular Formula:

C10H9NO6

Molecular Weight:

239.1816

Catalog Number:

AG01BEH7

Chemical Name:

8-nitro-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxylic acid

CAS Number:

1094424-70-0

Molecular Formula:

C10H9NO6

Molecular Weight:

239.1816

MDL Number:

MFCD11205102

IUPAC Name:

7-nitro-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxylic acid

InChI:

InChI=1S/C10H9NO6/c12-10(13)6-4-8-9(5-7(6)11(14)15)17-3-1-2-16-8/h4-5H,1-3H2,(H,12,13)

InChI Key:

WJJGEOWHQUZVBK-UHFFFAOYSA-N

SMILES:

[O-][N+](=O)c1cc2OCCCOc2cc1C(=O)O

Complexity:

314

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:

102A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.4