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130-81-4 | 1H-Benzo[a]cyclopenta[f]quinolizinium, 2,3,3a,5,6,11,12,12a-octahydro-8-hydroxy-, bromide (1:1)
CAS No: 130-81-4 Catalog No: AG000TV4 MDL No:
Product Description
Catalog Number:
AG000TV4
Chemical Name:
1H-Benzo[a]cyclopenta[f]quinolizinium, 2,3,3a,5,6,11,12,12a-octahydro-8-hydroxy-, bromide (1:1)
CAS Number:
130-81-4
Molecular Formula:
C16H20BrNO
Molecular Weight:
322.2401
IUPAC Name:
10-azoniatetracyclo[8.7.0.02,7.011,15]heptadeca-1(10),2(7),3,5-tetraen-5-ol;bromide
InChI:
InChI=1S/C16H19NO.BrH/c18-13-5-6-14-12(10-13)8-9-17-15-3-1-2-11(15)4-7-16(14)17;/h5-6,10-11,15H,1-4,7-9H2;1H
InChI Key:
OUILVKYDBNPYBM-UHFFFAOYSA-N
SMILES:
Oc1ccc2c(c1)CC[N+]1=C2CCC2C1CCC2.[Br-]
NSC Number:
78614
Properties
Complexity:
375
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
321.073g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
322.246g/mol
Monoisotopic Mass:
321.073g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
23.2A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
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