Name: Name:methyl 8-amino-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxylate
Brand: Angene
SKU: AG01AJGY
Rating: 90 (10 reviews)

methyl 8-amino-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxylate

CAS No.:

1183729-76-1

Catalog Number:

AG01AJGY

Molecular Formula:

C11H13NO4

Molecular Weight:

223.2252

Catalog Number:

AG01AJGY

Chemical Name:

methyl 8-amino-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxylate

CAS Number:

1183729-76-1

Molecular Formula:

C11H13NO4

Molecular Weight:

223.2252

MDL Number:

MFCD12159788

IUPAC Name:

methyl 7-amino-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxylate

InChI:

InChI=1S/C11H13NO4/c1-14-11(13)7-5-9-10(6-8(7)12)16-4-2-3-15-9/h5-6H,2-4,12H2,1H3

InChI Key:

SGDIIHAZEROKQX-UHFFFAOYSA-N

SMILES:

COC(=O)c1cc2OCCCOc2cc1N

Complexity:

258

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

223.084g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

223.228g/mol

Monoisotopic Mass:

223.084g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

70.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.7