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Home > Other Heterocycles > 1638761-29-1
1638761-29-1 | tert-butylN-{[3-(hydroxymethyl)bicyclo[1.1.1]pentan-1-yl]methyl}carbamate
CAS No: 1638761-29-1 Catalog No: AG00HYYG MDL No:MFCD27987012
Product Description
Catalog Number:
AG00HYYG
Chemical Name:
tert-butylN-{[3-(hydroxymethyl)bicyclo[1.1.1]pentan-1-yl]methyl}carbamate
CAS Number:
1638761-29-1
Molecular Formula:
C12H21NO3
Molecular Weight:
227.3000
MDL Number:
MFCD27987012
IUPAC Name:
tert-butyl N-[[3-(hydroxymethyl)-1-bicyclo[1.1.1]pentanyl]methyl]carbamate
InChI:
InChI=1S/C12H21NO3/c1-10(2,3)16-9(15)13-7-11-4-12(5-11,6-11)8-14/h14H,4-8H2,1-3H3,(H,13,15)
InChI Key:
WKAJJGDMKAXWMH-UHFFFAOYSA-N
SMILES:
OCC12CC(C1)(C2)CNC(=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:
1.1
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