Name: Name:4-(furan-2-carbonyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylic acid
Brand: Angene
SKU: AG019VUA
Rating: 90 (10 reviews)

4-(furan-2-carbonyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylic acid

CAS No.:

926258-37-9

Catalog Number:

AG019VUA

Molecular Formula:

C14H11NO5

Molecular Weight:

273.2408

Catalog Number:

AG019VUA

Chemical Name:

4-(furan-2-carbonyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylic acid

CAS Number:

926258-37-9

Molecular Formula:

C14H11NO5

Molecular Weight:

273.2408

MDL Number:

MFCD06660852

IUPAC Name:

4-(furan-2-carbonyl)-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid

InChI:

InChI=1S/C14H11NO5/c16-13(11-6-3-7-19-11)15-8-12(14(17)18)20-10-5-2-1-4-9(10)15/h1-7,12H,8H2,(H,17,18)

InChI Key:

SWJMTZMBKZJJGJ-UHFFFAOYSA-N

SMILES:

OC(=O)C1Oc2ccccc2N(C1)C(=O)c1ccco1

Complexity:

399

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

273.064g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

273.244g/mol

Monoisotopic Mass:

273.064g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

80A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.7