Home Carboxys tert-butyl 8-hydroxy-2,3,4,5-tetrahydro-1,4-benzoxazepine-4-carboxylate

tert-butyl 8-hydroxy-2,3,4,5-tetrahydro-1,4-benzoxazepine-4-carboxylate

CAS No.:
1167416-21-8
Catalog Number:
AG01BA45
Molecular Formula:
C14H19NO4
Molecular Weight:
265.3050
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Product Description
Catalog Number:
AG01BA45
Chemical Name:
tert-butyl 8-hydroxy-2,3,4,5-tetrahydro-1,4-benzoxazepine-4-carboxylate
CAS Number:
1167416-21-8
Molecular Formula:
C14H19NO4
Molecular Weight:
265.3050
MDL Number:
MFCD14582631
IUPAC Name:
tert-butyl 8-hydroxy-3,5-dihydro-2H-1,4-benzoxazepine-4-carboxylate
InChI:
InChI=1S/C14H19NO4/c1-14(2,3)19-13(17)15-6-7-18-12-8-11(16)5-4-10(12)9-15/h4-5,8,16H,6-7,9H2,1-3H3
InChI Key:
POYYOUNCWNYTEJ-UHFFFAOYSA-N
SMILES:
Oc1ccc2c(c1)OCCN(C2)C(=O)OC(C)(C)C
Properties
Complexity:
326  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
265.131g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
265.309g/mol
Monoisotopic Mass:
265.131g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
59A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2  
Properties