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Home > Other Heterocycles > 1418113-84-4
1418113-84-4 | tert-butyl N-[(1S,2S,3R,4R)-3-formylbicyclo[2.2.1]hept-5-en-2-yl]carbamate
CAS No: 1418113-84-4 Catalog No: AG00IXN7 MDL No:MFCD20481867
Product Description
Catalog Number:
AG00IXN7
Chemical Name:
tert-butyl N-[(1S,2S,3R,4R)-3-formylbicyclo[2.2.1]hept-5-en-2-yl]carbamate
CAS Number:
1418113-84-4
Molecular Formula:
C13H19NO3
Molecular Weight:
237.2949
MDL Number:
MFCD20481867
IUPAC Name:
tert-butyl N-[(1R,2R,3R,4R)-3-formyl-2-bicyclo[2.2.1]hept-5-enyl]carbamate
InChI:
InChI=1S/C13H19NO3/c1-13(2,3)17-12(16)14-11-9-5-4-8(6-9)10(11)7-15/h4-5,7-11H,6H2,1-3H3,(H,14,16)/t8-,9-,10+,11+/m0/s1
InChI Key:
RVKGEQNCWLODKY-UKKRHICBSA-N
SMILES:
O=C[C@@H]1[C@H]2C=C[C@@H]([C@@H]1NC(=O)OC(C)(C)C)C2
Properties
Complexity:
356
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
237.136g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
237.299g/mol
Monoisotopic Mass:
237.136g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
55.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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