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22222-86-2 | 4H-Dibenzo[de,g]quinolin-1-ol,5,6,6a,7-tetrahydro-2-methoxy-6-methyl-
CAS No: 22222-86-2 Catalog No: AG006ZFI MDL No:
Product Description
Catalog Number:
AG006ZFI
Chemical Name:
4H-Dibenzo[de,g]quinolin-1-ol,5,6,6a,7-tetrahydro-2-methoxy-6-methyl-
CAS Number:
22222-86-2
Molecular Formula:
C18H19NO2
Molecular Weight:
281.3490
IUPAC Name:
2-methoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-1-ol
InChI:
InChI=1S/C18H19NO2/c1-19-8-7-12-10-15(21-2)18(20)17-13-6-4-3-5-11(13)9-14(19)16(12)17/h3-6,10,14,20H,7-9H2,1-2H3
InChI Key:
YXVXMURDCBMPRH-UHFFFAOYSA-N
SMILES:
COc1cc2CCN(C3c2c(c1O)c1ccccc1C3)C
NSC Number:
146056
Properties
Complexity:
387
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
281.142g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
281.355g/mol
Monoisotopic Mass:
281.142g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
32.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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