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147363-85-7 | 1-Oxa-4-azacyclotridecan-13-one, 5-propyl-, (5S)-
CAS No: 147363-85-7 Catalog No: AG001EU1 MDL No:
Product Description
Catalog Number:
AG001EU1
Chemical Name:
1-Oxa-4-azacyclotridecan-13-one, 5-propyl-, (5S)-
CAS Number:
147363-85-7
Molecular Formula:
C14H27NO2
Molecular Weight:
241.3697
IUPAC Name:
5-propyl-1-oxa-4-azacyclotridecan-13-one
InChI:
InChI=1S/C14H27NO2/c1-2-8-13-9-6-4-3-5-7-10-14(16)17-12-11-15-13/h13,15H,2-12H2,1H3
InChI Key:
QYUAIHHWMFYMIS-UHFFFAOYSA-N
SMILES:
CCC[C@H]1CCCCCCCC(=O)OCCN1
Properties
Complexity:
206
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
241.204g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
241.375g/mol
Monoisotopic Mass:
241.204g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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