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

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

CAS No.:
2137442-90-9
Catalog Number:
AG01EKOJ
Molecular Formula:
C15H19NO5
Molecular Weight:
293.3151
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG01EKOJ
Chemical Name:
4-[(tert-butoxy)carbonyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-5-carboxylic acid
CAS Number:
2137442-90-9
Molecular Formula:
C15H19NO5
Molecular Weight:
293.3151
MDL Number:
MFCD31421871
IUPAC Name:
4-[(2-methylpropan-2-yl)oxycarbonyl]-3,5-dihydro-2H-1,4-benzoxazepine-5-carboxylic acid
InChI:
InChI=1S/C15H19NO5/c1-15(2,3)21-14(19)16-8-9-20-11-7-5-4-6-10(11)12(16)13(17)18/h4-7,12H,8-9H2,1-3H3,(H,17,18)
InChI Key:
FMELTQIPWNOJCL-UHFFFAOYSA-N
SMILES:
O=C(N1CCOc2c(C1C(=O)O)cccc2)OC(C)(C)C
Properties
Complexity:
403  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
293.126g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
293.319g/mol
Monoisotopic Mass:
293.126g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
76.1A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Properties