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Home > Other Heterocycles > 1936602-36-6
1936602-36-6 | Tert-Butyl (3-(2-Hydroxyethyl)Bicyclo[1.1.1]Pentan-1-Yl)Carbamate
CAS No: 1936602-36-6 Catalog No: AG01DM4K MDL No:MFCD28390411
Product Description
Catalog Number:
AG01DM4K
Chemical Name:
Tert-Butyl (3-(2-Hydroxyethyl)Bicyclo[1.1.1]Pentan-1-Yl)Carbamate
CAS Number:
1936602-36-6
Molecular Formula:
C12H21NO3
Molecular Weight:
227.3000
MDL Number:
MFCD28390411
IUPAC Name:
tert-butyl N-[3-(2-hydroxyethyl)-1-bicyclo[1.1.1]pentanyl]carbamate
InChI:
InChI=1S/C12H21NO3/c1-10(2,3)16-9(15)13-12-6-11(7-12,8-12)4-5-14/h14H,4-8H2,1-3H3,(H,13,15)
InChI Key:
NNCFIIKJKGWWFZ-UHFFFAOYSA-N
SMILES:
OCCC12CC(C1)(C2)NC(=O)OC(C)(C)C
Properties
Complexity:
286
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:
2
Isotope Atom Count:
0
Molecular Weight:
227.304g/mol
Monoisotopic Mass:
227.152g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
58.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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