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Home > Other Heterocycles > 1774896-53-5
1774896-53-5 | tert-Butyl N-{spiro[2.4]heptan-1-yl}carbamate
CAS No: 1774896-53-5 Catalog No: AG01FAGQ MDL No:
Product Description
Catalog Number:
AG01FAGQ
Chemical Name:
tert-Butyl N-{spiro[2.4]heptan-1-yl}carbamate
CAS Number:
1774896-53-5
Molecular Formula:
C12H21NO2
Molecular Weight:
211.3006
IUPAC Name:
tert-butyl N-spiro[2.4]heptan-2-ylcarbamate
InChI:
InChI=1S/C12H21NO2/c1-11(2,3)15-10(14)13-9-8-12(9)6-4-5-7-12/h9H,4-8H2,1-3H3,(H,13,14)
InChI Key:
BTWUZYAVGRDITF-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)NC1CC21CCCC2
Properties
Complexity:
261
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
211.157g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
211.305g/mol
Monoisotopic Mass:
211.157g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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