Home Carboxys 4-[(tert-butoxy)carbonyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxylic acid

4-[(tert-butoxy)carbonyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxylic acid

CAS No.:
1055880-94-8
Catalog Number:
AG01EKQ6
Molecular Formula:
C15H19NO5
Molecular Weight:
293.3151
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Product Description
Catalog Number:
AG01EKQ6
Chemical Name:
4-[(tert-butoxy)carbonyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxylic acid
CAS Number:
1055880-94-8
Molecular Formula:
C15H19NO5
Molecular Weight:
293.3151
MDL Number:
MFCD31435784
IUPAC Name:
4-[(2-methylpropan-2-yl)oxycarbonyl]-3,5-dihydro-2H-1,4-benzoxazepine-9-carboxylic acid
InChI:
InChI=1S/C15H19NO5/c1-15(2,3)21-14(19)16-7-8-20-12-10(9-16)5-4-6-11(12)13(17)18/h4-6H,7-9H2,1-3H3,(H,17,18)
InChI Key:
LSIKYZAIXJTXIB-UHFFFAOYSA-N
SMILES:
O=C(N1CCOc2c(C1)cccc2C(=O)O)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:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  
Properties