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1207961-82-7 | 2-((Z)-2-((E)-2-(1,1-Dimethyl-5,6-dihydro-1h-pyrrolo[3,2,1-ij]quinolin-2(4h)-ylidene)ethylidene)-3-o
CAS No: 1207961-82-7 Catalog No: AG00HFRB MDL No:
Product Description
Catalog Number:
AG00HFRB
Chemical Name:
2-((Z)-2-((E)-2-(1,1-Dimethyl-5,6-dihydro-1h-pyrrolo[3,2,1-ij]quinolin-2(4h)-ylidene)ethylidene)-3-o
CAS Number:
1207961-82-7
IUPAC Name:
2-[(2Z)-2-[(2E)-2-(3,3-dimethyl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-ylidene)ethylidene]-3-oxoinden-1-ylidene]propanedinitrile
InChI:
InChI=1S/C27H21N3O/c1-27(2)22-11-5-7-17-8-6-14-30(25(17)22)23(27)13-12-21-24(18(15-28)16-29)19-9-3-4-10-20(19)26(21)31/h3-5,7,9-13H,6,8,14H2,1-2H3/b21-12-,23-13+
InChI Key:
XCFYTQCAMLKFSO-ABLMNQNHSA-N
Properties
Complexity:
976
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
2
Exact Mass:
403.168g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
403.485g/mol
Monoisotopic Mass:
403.168g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
67.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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