Home Other Building Blocks TERT-BUTYL 6-FORMYL-1,4-OXAZEPANE-4-CARBOXYLATE

TERT-BUTYL 6-FORMYL-1,4-OXAZEPANE-4-CARBOXYLATE

CAS No.:
1269755-59-0
Catalog Number:
AG01EMA6
Molecular Formula:
C11H19NO4
Molecular Weight:
229.2729
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Product Description
Catalog Number:
AG01EMA6
Chemical Name:
TERT-BUTYL 6-FORMYL-1,4-OXAZEPANE-4-CARBOXYLATE
CAS Number:
1269755-59-0
Molecular Formula:
C11H19NO4
Molecular Weight:
229.2729
MDL Number:
MFCD22573924
IUPAC Name:
tert-butyl 6-formyl-1,4-oxazepane-4-carboxylate
InChI:
InChI=1S/C11H19NO4/c1-11(2,3)16-10(14)12-4-5-15-8-9(6-12)7-13/h7,9H,4-6,8H2,1-3H3
InChI Key:
URPNDUJBEFQVLM-UHFFFAOYSA-N
SMILES:
O=CC1COCCN(C1)C(=O)OC(C)(C)C
Properties
Complexity:
259  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.131g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
229.276g/mol
Monoisotopic Mass:
229.131g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2  
Properties