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188975-88-4 | tert-Butyl 4-oxoazepane-1-carboxylate
CAS No: 188975-88-4 Catalog No: AG003STZ MDL No:MFCD03788435
Product Description
Catalog Number:
AG003STZ
Chemical Name:
tert-Butyl 4-oxoazepane-1-carboxylate
CAS Number:
188975-88-4
Molecular Formula:
C11H19NO3
Molecular Weight:
213.2735
MDL Number:
MFCD03788435
IUPAC Name:
tert-butyl 4-oxoazepane-1-carboxylate
InChI:
InChI=1S/C11H19NO3/c1-11(2,3)15-10(14)12-7-4-5-9(13)6-8-12/h4-8H2,1-3H3
InChI Key:
PMLBUVZPRKXMOX-UHFFFAOYSA-N
SMILES:
O=C1CCCN(CC1)C(=O)OC(C)(C)C
Properties
Complexity:
255
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
213.136g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
213.277g/mol
Monoisotopic Mass:
213.136g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
46.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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