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7680-15-1 | 8-hydroxy-10a,12a-dimethyl-3,4,4a,4b,5,7,8,9,10,10a,10b,11,12,12a-tetradecahydronaphtho[2,1-f]quinolin-2(1h)-one
CAS No: 7680-15-1 Catalog No: AG005U51 MDL No:
Product Description
Catalog Number:
AG005U51
Chemical Name:
8-hydroxy-10a,12a-dimethyl-3,4,4a,4b,5,7,8,9,10,10a,10b,11,12,12a-tetradecahydronaphtho[2,1-f]quinolin-2(1h)-one
CAS Number:
7680-15-1
Molecular Formula:
C19H29NO2
Molecular Weight:
303.4391
IUPAC Name:
8-hydroxy-10a,12a-dimethyl-3,4,4a,4b,5,7,8,9,10,10b,11,12-dodecahydro-1H-naphtho[2,1-f]quinolin-2-one
InChI:
InChI=1S/C19H29NO2/c1-18-9-7-13(21)11-12(18)3-4-14-15(18)8-10-19(2)16(14)5-6-17(22)20-19/h3,13-16,21H,4-11H2,1-2H3,(H,20,22)
InChI Key:
FOMMZXSAOZSXPW-UHFFFAOYSA-N
SMILES:
OC1CCC2(C(=CCC3C2CCC2(C3CCC(=O)N2)C)C1)C
Properties
Complexity:
528
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
303.22g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
303.446g/mol
Monoisotopic Mass:
303.22g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
49.3A^2
Undefined Atom Stereocenter Count:
6
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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