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1255785-56-8 | 9-(3
CAS No: 1255785-56-8 Catalog No: AG01FND6 MDL No:MFCD17780248
Product Description
Catalog Number:
AG01FND6
Chemical Name:
9-(3
CAS Number:
1255785-56-8
MDL Number:
MFCD17780248
IUPAC Name:
11-(3,4-dimethylphenyl)-3,4,6,9,10-pentazatricyclo[7.3.0.02,6]dodeca-1(12),2,7,10-tetraen-5-one
InChI:
InChI=1S/C15H13N5O/c1-9-3-4-11(7-10(9)2)12-8-13-14-16-17-15(21)19(14)5-6-20(13)18-12/h3-8H,1-2H3,(H,17,21)
InChI Key:
RBCBSIYHINWWGI-UHFFFAOYSA-N
Properties
Complexity:
516
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
279.112g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
279.303g/mol
Monoisotopic Mass:
279.112g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
62.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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