Name: Name:methyl 2,2-dimethyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-carboxylate
Brand: Angene
SKU: AG01ELPA
Rating: 90 (10 reviews)

methyl 2,2-dimethyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-carboxylate

CAS No.:

179950-70-0

Catalog Number:

AG01ELPA

Molecular Formula:

C12H13NO4

Molecular Weight:

235.2359

Catalog Number:

AG01ELPA

Chemical Name:

methyl 2,2-dimethyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-carboxylate

CAS Number:

179950-70-0

Molecular Formula:

C12H13NO4

Molecular Weight:

235.2359

MDL Number:

MFCD26747243

IUPAC Name:

methyl 2,2-dimethyl-3-oxo-4H-1,4-benzoxazine-7-carboxylate

InChI:

InChI=1S/C12H13NO4/c1-12(2)11(15)13-8-5-4-7(10(14)16-3)6-9(8)17-12/h4-6H,1-3H3,(H,13,15)

InChI Key:

GESDBCNLPUFJMW-UHFFFAOYSA-N

SMILES:

COC(=O)c1ccc2c(c1)OC(C(=O)N2)(C)C

Complexity:

339

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

235.084g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

235.239g/mol

Monoisotopic Mass:

235.084g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

64.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.3