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Home > Other Heterocycles > 1416374-98-5
1416374-98-5 | Carbamic acid, N-(1-ethenyl-2-oxabicyclo[2.2.2]oct-4-yl)-, 1,1-dimethylethyl ester
CAS No: 1416374-98-5 Catalog No: AG001GRN MDL No:MFCD23099503
Product Description
Catalog Number:
AG001GRN
Chemical Name:
Carbamic acid, N-(1-ethenyl-2-oxabicyclo[2.2.2]oct-4-yl)-, 1,1-dimethylethyl ester
CAS Number:
1416374-98-5
Molecular Formula:
C14H23NO3
Molecular Weight:
253.3373
MDL Number:
MFCD23099503
IUPAC Name:
tert-butyl N-(1-ethenyl-2-oxabicyclo[2.2.2]octan-4-yl)carbamate
InChI:
InChI=1S/C14H23NO3/c1-5-14-8-6-13(7-9-14,10-17-14)15-11(16)18-12(2,3)4/h5H,1,6-10H2,2-4H3,(H,15,16)
InChI Key:
KYFBHUHBCGVWNF-UHFFFAOYSA-N
SMILES:
C=CC12CCC(CC1)(CO2)NC(=O)OC(C)(C)C
Properties
Complexity:
349
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.168g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
253.342g/mol
Monoisotopic Mass:
253.168g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
47.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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