Name: Name:2H-1,4-Benzoxazine-7-carboxaldehyde, 3,4-dihydro-3-oxo-
Brand: Angene
SKU: AG002CLO
Rating: 90 (10 reviews)

2H-1,4-Benzoxazine-7-carboxaldehyde, 3,4-dihydro-3-oxo-

CAS No.:

200195-19-3

Catalog Number:

AG002CLO

Molecular Formula:

C9H7NO3

Molecular Weight:

177.1568

Catalog Number:

AG002CLO

Chemical Name:

2H-1,4-Benzoxazine-7-carboxaldehyde, 3,4-dihydro-3-oxo-

CAS Number:

200195-19-3

Molecular Formula:

C9H7NO3

Molecular Weight:

177.1568

MDL Number:

MFCD11878405

IUPAC Name:

3-oxo-4H-1,4-benzoxazine-7-carbaldehyde

InChI:

InChI=1S/C9H7NO3/c11-4-6-1-2-7-8(3-6)13-5-9(12)10-7/h1-4H,5H2,(H,10,12)

InChI Key:

YCIZZCSWMNUTGR-UHFFFAOYSA-N

SMILES:

O=Cc1ccc2c(c1)OCC(=O)N2

Complexity:

229

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

177.043g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

177.159g/mol

Monoisotopic Mass:

177.043g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

55.4A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.3