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29673-32-3 | 2-Aziridineoctanoic acid, 3-octyl-, methyl ester, (2R,3S)-rel-
CAS No: 29673-32-3 Catalog No: AG002Z26 MDL No:
Product Description
Catalog Number:
AG002Z26
Chemical Name:
2-Aziridineoctanoic acid, 3-octyl-, methyl ester, (2R,3S)-rel-
CAS Number:
29673-32-3
Molecular Formula:
C19H37NO2
Molecular Weight:
311.5026
IUPAC Name:
methyl 8-[(2S,3R)-3-octylaziridin-2-yl]octanoate
InChI:
InChI=1S/C19H37NO2/c1-3-4-5-6-8-11-14-17-18(20-17)15-12-9-7-10-13-16-19(21)22-2/h17-18,20H,3-16H2,1-2H3/t17-,18+/m1/s1
InChI Key:
ARFLHAPRSRLBHO-MSOLQXFVSA-N
SMILES:
CCCCCCCC[C@@H]1N[C@@H]1CCCCCCCC(=O)OC
Properties
Complexity:
281
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
311.282g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
311.51g/mol
Monoisotopic Mass:
311.282g/mol
Rotatable Bond Count:
16
Topological Polar Surface Area:
48.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.2
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