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Home > Other Heterocycles > 1630906-73-8
1630906-73-8 | Carbamic acid, N-(3-oxobicyclo[3.2.1]oct-8-yl)-, 1,1-dimethylethyl ester
CAS No: 1630906-73-8 Catalog No: AG001TPV MDL No:MFCD27987352
Product Description
Catalog Number:
AG001TPV
Chemical Name:
Carbamic acid, N-(3-oxobicyclo[3.2.1]oct-8-yl)-, 1,1-dimethylethyl ester
CAS Number:
1630906-73-8
Molecular Formula:
C13H21NO3
Molecular Weight:
239.3107
MDL Number:
MFCD27987352
IUPAC Name:
tert-butyl N-(3-oxo-8-bicyclo[3.2.1]octanyl)carbamate
InChI:
InChI=1S/C13H21NO3/c1-13(2,3)17-12(16)14-11-8-4-5-9(11)7-10(15)6-8/h8-9,11H,4-7H2,1-3H3,(H,14,16)
InChI Key:
UFRMIMOAWPURFR-UHFFFAOYSA-N
SMILES:
O=C1CC2CCC(C1)C2NC(=O)OC(C)(C)C
Properties
Complexity:
316
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
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:
3
Topological Polar Surface Area:
55.4A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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