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Home > Other Heterocycles > 2096992-22-0
2096992-22-0 | tert-Butyl (3-(cyanomethyl)bicyclo[1.1.1]pentan-1-yl)carbamate
CAS No: 2096992-22-0 Catalog No: AG01CCUM MDL No:
Product Description
Catalog Number:
AG01CCUM
Chemical Name:
tert-Butyl (3-(cyanomethyl)bicyclo[1.1.1]pentan-1-yl)carbamate
CAS Number:
2096992-22-0
Molecular Formula:
C12H18N2O2
Molecular Weight:
222.2835
IUPAC Name:
tert-butyl N-[3-(cyanomethyl)-1-bicyclo[1.1.1]pentanyl]carbamate
InChI:
InChI=1S/C12H18N2O2/c1-10(2,3)16-9(15)14-12-6-11(7-12,8-12)4-5-13/h4,6-8H2,1-3H3,(H,14,15)
InChI Key:
YXBLQSZUOYVBKG-UHFFFAOYSA-N
SMILES:
N#CCC12CC(C1)(C2)NC(=O)OC(C)(C)C
Properties
Complexity:
352
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.137g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
222.288g/mol
Monoisotopic Mass:
222.137g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
62.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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