Name: Name:4-[(2,3-Dihydro-3-oxo-4H-1,4-benzoxazin-4-yl)methyl]benzoic acid
Brand: Angene
SKU: AG003KKD
Rating: 90 (10 reviews)

4-[(2,3-Dihydro-3-oxo-4H-1,4-benzoxazin-4-yl)methyl]benzoic acid

CAS No.:

857492-98-9

Catalog Number:

AG003KKD

Molecular Formula:

C16H13NO4

Molecular Weight:

283.2787

Catalog Number:

AG003KKD

Chemical Name:

4-[(2,3-Dihydro-3-oxo-4H-1,4-benzoxazin-4-yl)methyl]benzoic acid

CAS Number:

857492-98-9

Molecular Formula:

C16H13NO4

Molecular Weight:

283.2787

MDL Number:

MFCD00269588

IUPAC Name:

4-[(3-oxo-1,4-benzoxazin-4-yl)methyl]benzoic acid

InChI:

InChI=1S/C16H13NO4/c18-15-10-21-14-4-2-1-3-13(14)17(15)9-11-5-7-12(8-6-11)16(19)20/h1-8H,9-10H2,(H,19,20)

InChI Key:

YVNJRPNQFNUCKP-UHFFFAOYSA-N

SMILES:

O=C1COc2c(N1Cc1ccc(cc1)C(=O)O)cccc2

Complexity:

403

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

283.084g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

283.283g/mol

Monoisotopic Mass:

283.084g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

66.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.1