Name: Name:4-[(tert-butoxy)carbonyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-6-carboxylic acid
Brand: Angene
SKU: AG01EKXQ
Rating: 90 (10 reviews)

4-[(tert-butoxy)carbonyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-6-carboxylic acid

CAS No.:

2137565-61-6

Catalog Number:

AG01EKXQ

Molecular Formula:

C15H19NO5

Molecular Weight:

293.3151

Catalog Number:

AG01EKXQ

Chemical Name:

4-[(tert-butoxy)carbonyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-6-carboxylic acid

CAS Number:

2137565-61-6

Molecular Formula:

C15H19NO5

Molecular Weight:

293.3151

MDL Number:

MFCD31587578

IUPAC Name:

4-[(2-methylpropan-2-yl)oxycarbonyl]-3,5-dihydro-2H-1,4-benzoxazepine-6-carboxylic acid

InChI:

InChI=1S/C15H19NO5/c1-15(2,3)21-14(19)16-7-8-20-12-6-4-5-10(13(17)18)11(12)9-16/h4-6H,7-9H2,1-3H3,(H,17,18)

InChI Key:

WSUFEFXMFQHSRW-UHFFFAOYSA-N

SMILES:

O=C(N1CCOc2c(C1)c(ccc2)C(=O)O)OC(C)(C)C

Complexity:

403

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

293.126g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

293.319g/mol

Monoisotopic Mass:

293.126g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

76.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.9