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Home > Other Heterocycles > 1417551-42-8
1417551-42-8 | Carbamic acid, N-(1-formyl-2-oxabicyclo[2.2.2]oct-4-yl)-, 1,1-dimethylethyl ester
CAS No: 1417551-42-8 Catalog No: AG001GZM MDL No:MFCD27987296
Product Description
Catalog Number:
AG001GZM
Chemical Name:
Carbamic acid, N-(1-formyl-2-oxabicyclo[2.2.2]oct-4-yl)-, 1,1-dimethylethyl ester
CAS Number:
1417551-42-8
Molecular Formula:
C13H21NO4
Molecular Weight:
255.3101
MDL Number:
MFCD27987296
IUPAC Name:
tert-butyl N-(1-formyl-2-oxabicyclo[2.2.2]octan-4-yl)carbamate
InChI:
InChI=1S/C13H21NO4/c1-11(2,3)18-10(16)14-12-4-6-13(8-15,7-5-12)17-9-12/h8H,4-7,9H2,1-3H3,(H,14,16)
InChI Key:
FYKMPFXSXYJVDT-UHFFFAOYSA-N
SMILES:
O=CC12CCC(CC1)(CO2)NC(=O)OC(C)(C)C
Properties
Complexity:
351
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
255.147g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
255.314g/mol
Monoisotopic Mass:
255.147g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
64.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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