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30727-53-8 | Methanone, (3,4-dihydro-3-hydroxybenzo[h]quinolin-1(2H)-yl)phenyl-
CAS No: 30727-53-8 Catalog No: AG003128 MDL No:
Product Description
Catalog Number:
AG003128
Chemical Name:
Methanone, (3,4-dihydro-3-hydroxybenzo[h]quinolin-1(2H)-yl)phenyl-
CAS Number:
30727-53-8
Molecular Formula:
C20H17NO2
Molecular Weight:
303.3545
IUPAC Name:
(3-hydroxy-3,4-dihydro-2H-benzo[h]quinolin-1-yl)-phenylmethanone
InChI:
InChI=1S/C20H17NO2/c22-17-12-16-11-10-14-6-4-5-9-18(14)19(16)21(13-17)20(23)15-7-2-1-3-8-15/h1-11,17,22H,12-13H2
InChI Key:
YYKYREKVOSKVAS-UHFFFAOYSA-N
SMILES:
OC1Cc2ccc3c(c2N(C1)C(=O)c1ccccc1)cccc3
Properties
Complexity:
431
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
303.126g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
303.361g/mol
Monoisotopic Mass:
303.126g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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