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Home > Other Heterocycles > 1418113-94-6
1418113-94-6 | tert-butyl N-[(1R,2S,3R,4S)-3-formylbicyclo[2.2.1]heptan-2-yl]carbamate
CAS No: 1418113-94-6 Catalog No: AG00J0C1 MDL No:MFCD20481866
Product Description
Catalog Number:
AG00J0C1
Chemical Name:
tert-butyl N-[(1R,2S,3R,4S)-3-formylbicyclo[2.2.1]heptan-2-yl]carbamate
CAS Number:
1418113-94-6
Molecular Formula:
C13H21NO3
Molecular Weight:
239.3107
MDL Number:
MFCD20481866
IUPAC Name:
tert-butyl N-[(1R,2S,3R,4S)-3-formyl-2-bicyclo[2.2.1]heptanyl]carbamate
InChI:
InChI=1S/C13H21NO3/c1-13(2,3)17-12(16)14-11-9-5-4-8(6-9)10(11)7-15/h7-11H,4-6H2,1-3H3,(H,14,16)/t8-,9+,10+,11-/m0/s1
InChI Key:
UQRDWBUTDRBGSD-ZDCRXTMVSA-N
SMILES:
O=C[C@@H]1[C@H]2CC[C@@H]([C@@H]1NC(=O)OC(C)(C)C)C2
Properties
Complexity:
321
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
239.152g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
239.315g/mol
Monoisotopic Mass:
239.152g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
55.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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