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Home > Other Heterocycles > 1333384-43-2
1333384-43-2 | Carbamic acid, N-[4-(hydroxymethyl)bicyclo[2.2.2]oct-1-yl]-, 1,1-dimethylethyl ester
CAS No: 1333384-43-2 Catalog No: AG0014OQ MDL No:MFCD27996090
Product Description
Catalog Number:
AG0014OQ
Chemical Name:
Carbamic acid, N-[4-(hydroxymethyl)bicyclo[2.2.2]oct-1-yl]-, 1,1-dimethylethyl ester
CAS Number:
1333384-43-2
Molecular Formula:
C14H25NO3
Molecular Weight:
255.3532
MDL Number:
MFCD27996090
IUPAC Name:
tert-butyl N-[4-(hydroxymethyl)-1-bicyclo[2.2.2]octanyl]carbamate
InChI:
InChI=1S/C14H25NO3/c1-12(2,3)18-11(17)15-14-7-4-13(10-16,5-8-14)6-9-14/h16H,4-10H2,1-3H3,(H,15,17)
InChI Key:
ULLNOMXSFKLMOU-UHFFFAOYSA-N
SMILES:
OCC12CCC(CC1)(CC2)NC(=O)OC(C)(C)C
Properties
Complexity:
308
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
255.183g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
255.358g/mol
Monoisotopic Mass:
255.183g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
58.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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