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37082-21-6 | 4H-Dibenzo[de,g]quinolin-1-ol,5,6,6a,7-tetrahydro-2-methoxy-6-(phenylmethyl)-, (R)- (9CI)
CAS No: 37082-21-6 Catalog No: AG007BWW MDL No:
Product Description
Catalog Number:
AG007BWW
Chemical Name:
4H-Dibenzo[de,g]quinolin-1-ol,5,6,6a,7-tetrahydro-2-methoxy-6-(phenylmethyl)-, (R)- (9CI)
CAS Number:
37082-21-6
Molecular Formula:
C24H23NO2
Molecular Weight:
357.4449
IUPAC Name:
(6aR)-6-benzyl-2-methoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-1-ol
InChI:
InChI=1S/C24H23NO2/c1-27-21-14-18-11-12-25(15-16-7-3-2-4-8-16)20-13-17-9-5-6-10-19(17)23(22(18)20)24(21)26/h2-10,14,20,26H,11-13,15H2,1H3/t20-/m1/s1
InChI Key:
CSOTXHXHHZEDFQ-HXUWFJFHSA-N
SMILES:
COc1cc2CCN([C@H]3c2c(c1O)c1ccccc1C3)Cc1ccccc1
Properties
Complexity:
505
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
357.173g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
357.453g/mol
Monoisotopic Mass:
357.173g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
32.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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