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93025-24-2 | 1-BENZOYL-4-HYDROXYDECAHYDROQUINOLINE
CAS No: 93025-24-2 Catalog No: AG00J8B6 MDL No:MFCD00438180
Product Description
Catalog Number:
AG00J8B6
Chemical Name:
1-BENZOYL-4-HYDROXYDECAHYDROQUINOLINE
CAS Number:
93025-24-2
Molecular Formula:
C16H21NO2
Molecular Weight:
259.3434
MDL Number:
MFCD00438180
IUPAC Name:
(4-hydroxy-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-phenylmethanone
InChI:
InChI=1S/C16H21NO2/c18-15-10-11-17(14-9-5-4-8-13(14)15)16(19)12-6-2-1-3-7-12/h1-3,6-7,13-15,18H,4-5,8-11H2
InChI Key:
FACYPGCUJNDXJS-UHFFFAOYSA-N
SMILES:
OC1CCN(C2C1CCCC2)C(=O)c1ccccc1
Properties
Complexity:
325
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.157g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
259.349g/mol
Monoisotopic Mass:
259.157g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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