Name: Name:2-(6-nitro-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl)acetic acid
Brand: Angene
SKU: AG019ONH
Rating: 90 (10 reviews)

2-(6-nitro-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl)acetic acid

CAS No.:

869464-86-8

Catalog Number:

AG019ONH

Molecular Formula:

C10H8N2O6

Molecular Weight:

252.1803

Catalog Number:

AG019ONH

Chemical Name:

2-(6-nitro-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl)acetic acid

CAS Number:

869464-86-8

Molecular Formula:

C10H8N2O6

Molecular Weight:

252.1803

MDL Number:

MFCD07345580

IUPAC Name:

2-(6-nitro-3-oxo-1,4-benzoxazin-4-yl)acetic acid

InChI:

InChI=1S/C10H8N2O6/c13-9-5-18-8-2-1-6(12(16)17)3-7(8)11(9)4-10(14)15/h1-3H,4-5H2,(H,14,15)

InChI Key:

BKZJXMCGQRZVLP-UHFFFAOYSA-N

SMILES:

OC(=O)CN1C(=O)COc2c1cc(cc2)[N+](=O)[O-]

Complexity:

379

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

252.038g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

252.182g/mol

Monoisotopic Mass:

252.038g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

113A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.5