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1185295-31-1 | 2-Methyl-6,7,8,9-tetrahydro-5H-1,4,7
CAS No: 1185295-31-1 Catalog No: AG01FOEB MDL No:
Product Description
Catalog Number:
AG01FOEB
Chemical Name:
2-Methyl-6,7,8,9-tetrahydro-5H-1,4,7
CAS Number:
1185295-31-1
IUPAC Name:
5-methyl-2,6,7,12-tetrazatricyclo[7.5.0.03,7]tetradeca-1(9),2,4-trien-8-one;hydrochloride
InChI:
InChI=1S/C11H14N4O.ClH/c1-7-6-10-13-9-3-5-12-4-2-8(9)11(16)15(10)14-7;/h6,12,14H,2-5H2,1H3;1H
InChI Key:
PCIZWFKLLXNAHG-UHFFFAOYSA-N
Properties
Complexity:
447
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.093g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
254.718g/mol
Monoisotopic Mass:
254.093g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
56.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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