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809273-70-9 | tert-Butyl ((4-oxocyclohexyl)methyl)carbamate
CAS No: 809273-70-9 Catalog No: AG005HVM MDL No:MFCD03839885
Product Description
Catalog Number:
AG005HVM
Chemical Name:
tert-Butyl ((4-oxocyclohexyl)methyl)carbamate
CAS Number:
809273-70-9
Molecular Formula:
C12H21NO3
Molecular Weight:
227.3000
MDL Number:
MFCD03839885
IUPAC Name:
tert-butyl N-[(4-oxocyclohexyl)methyl]carbamate
InChI:
InChI=1S/C12H21NO3/c1-12(2,3)16-11(15)13-8-9-4-6-10(14)7-5-9/h9H,4-8H2,1-3H3,(H,13,15)
InChI Key:
KYOXDOGUXCYNAW-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)NCC1CCC(=O)CC1
Properties
Complexity:
258
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.152g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
227.304g/mol
Monoisotopic Mass:
227.152g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
55.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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