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127229-00-9 | Hexanoic acid, 6-[(2-octylcyclopentyl)amino]-, (1S-trans)- (9CI)
CAS No: 127229-00-9 Catalog No: AG000WS9 MDL No:
Product Description
Catalog Number:
AG000WS9
Chemical Name:
Hexanoic acid, 6-[(2-octylcyclopentyl)amino]-, (1S-trans)- (9CI)
CAS Number:
127229-00-9
Molecular Formula:
C19H37NO2
Molecular Weight:
311.5026
IUPAC Name:
6-[[(1S,2S)-2-octylcyclopentyl]amino]hexanoic acid
InChI:
InChI=1S/C19H37NO2/c1-2-3-4-5-6-8-12-17-13-11-14-18(17)20-16-10-7-9-15-19(21)22/h17-18,20H,2-16H2,1H3,(H,21,22)/t17-,18-/m0/s1
InChI Key:
LDSBMPQRBGVMMF-ROUUACIJSA-N
SMILES:
CCCCCCCC[C@H]1CCC[C@@H]1NCCCCCC(=O)O
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:
2
Isotope Atom Count:
0
Molecular Weight:
311.51g/mol
Monoisotopic Mass:
311.282g/mol
Rotatable Bond Count:
14
Topological Polar Surface Area:
49.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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