Home Carboxys tert-butyl 3-formylazepane-1-carboxylate

tert-butyl 3-formylazepane-1-carboxylate

CAS No.:
1440961-03-4
Catalog Number:
AG01B4GS
Molecular Formula:
C12H21NO3
Molecular Weight:
227.3000
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Product Description
Catalog Number:
AG01B4GS
Chemical Name:
tert-butyl 3-formylazepane-1-carboxylate
CAS Number:
1440961-03-4
Molecular Formula:
C12H21NO3
Molecular Weight:
227.3000
MDL Number:
MFCD24857238
IUPAC Name:
tert-butyl 3-formylazepane-1-carboxylate
InChI:
InChI=1S/C12H21NO3/c1-12(2,3)16-11(15)13-7-5-4-6-10(8-13)9-14/h9-10H,4-8H2,1-3H3
InChI Key:
UQFCEVAYWBVYJX-UHFFFAOYSA-N
SMILES:
O=CC1CCCCN(C1)C(=O)OC(C)(C)C
Properties
Complexity:
258  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.152g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
227.304g/mol
Monoisotopic Mass:
227.152g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
46.6A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  
Properties