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1000931-58-7 | 1,5-Naphthyridine-1(2H)-carboxylic acid, octahydro-, 1,1-dimethylethyl ester
CAS No: 1000931-58-7 Catalog No: AG0000VM MDL No:MFCD09863462
Product Description
Catalog Number:
AG0000VM
Chemical Name:
1,5-Naphthyridine-1(2H)-carboxylic acid, octahydro-, 1,1-dimethylethyl ester
CAS Number:
1000931-58-7
Molecular Formula:
C13H24N2O2
Molecular Weight:
240.3419
MDL Number:
MFCD09863462
IUPAC Name:
tert-butyl 3,4,4a,5,6,7,8,8a-octahydro-2H-1,5-naphthyridine-1-carboxylate
InChI:
InChI=1S/C13H24N2O2/c1-13(2,3)17-12(16)15-9-5-6-10-11(15)7-4-8-14-10/h10-11,14H,4-9H2,1-3H3
InChI Key:
NJASRKUXYJXBNQ-UHFFFAOYSA-N
SMILES:
O=C(N1CCCC2C1CCCN2)OC(C)(C)C
Properties
Complexity:
286
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.184g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
240.347g/mol
Monoisotopic Mass:
240.184g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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