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519164-95-5 | Quinoline, 4-ethynyl-1,2,3,5,6,7,8,8a-octahydro-2-methyl-, (2R,8aS)-rel- (9CI)
CAS No: 519164-95-5 Catalog No: AG00E81G MDL No:
Product Description
Catalog Number:
AG00E81G
Chemical Name:
Quinoline, 4-ethynyl-1,2,3,5,6,7,8,8a-octahydro-2-methyl-, (2R,8aS)-rel- (9CI)
CAS Number:
519164-95-5
IUPAC Name:
(2R,8aS)-4-ethynyl-2-methyl-1,2,3,5,6,7,8,8a-octahydroquinoline
InChI:
InChI=1S/C12H17N/c1-3-10-8-9(2)13-12-7-5-4-6-11(10)12/h1,9,12-13H,4-8H2,2H3/t9-,12+/m1/s1
InChI Key:
VIZPLWDGWQRDGB-SKDRFNHKSA-N
Properties
Complexity:
279
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
175.136g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
175.275g/mol
Monoisotopic Mass:
175.136g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
12A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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