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41175-45-5 | 1H,5H-Cyclopenta[3,4][1]benzopyrano[6,7,8-ij]quinolizin-12(9H)-one,2,3,6,7,10,11-hexahydro-
CAS No: 41175-45-5 Catalog No: AG00IMEX MDL No:MFCD00041949
Product Description
Catalog Number:
AG00IMEX
Chemical Name:
1H,5H-Cyclopenta[3,4][1]benzopyrano[6,7,8-ij]quinolizin-12(9H)-one,2,3,6,7,10,11-hexahydro-
CAS Number:
41175-45-5
Molecular Formula:
C18H19NO2
Molecular Weight:
281.3490
MDL Number:
MFCD00041949
IUPAC Name:
3-oxa-16-azapentacyclo[10.7.1.02,10.05,9.016,20]icosa-1(20),2(10),5(9),11-tetraen-4-one
InChI:
InChI=1S/C18H19NO2/c20-18-13-6-1-5-12(13)15-10-11-4-2-8-19-9-3-7-14(16(11)19)17(15)21-18/h10H,1-9H2
InChI Key:
LLSRPENMALNOFW-UHFFFAOYSA-N
SMILES:
O=c1oc2c3CCCN4c3c(cc2c2c1CCC2)CCC4
EC Number:
255-246-3
UNII:
9RGV583D48
NSC Number:
290434
Properties
Complexity:
511
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:
0
Isotope Atom Count:
0
Molecular Weight:
281.355g/mol
Monoisotopic Mass:
281.142g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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