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90978-66-8 | OCTAHYDRO-QUINOLIZINE-1-CARBOXYLIC ACID
CAS No: 90978-66-8 Catalog No: AG006G59 MDL No:
Product Description
Catalog Number:
AG006G59
Chemical Name:
OCTAHYDRO-QUINOLIZINE-1-CARBOXYLIC ACID
CAS Number:
90978-66-8
Molecular Formula:
C10H17NO2
Molecular Weight:
183.2475
IUPAC Name:
2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine-1-carboxylic acid
InChI:
InChI=1S/C10H17NO2/c12-10(13)8-4-3-7-11-6-2-1-5-9(8)11/h8-9H,1-7H2,(H,12,13)
InChI Key:
ZYQJGZAVMHNFNY-UHFFFAOYSA-N
SMILES:
OC(=O)C1CCCN2C1CCCC2
Properties
Complexity:
205
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
183.126g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
183.251g/mol
Monoisotopic Mass:
183.126g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.1
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