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Home > Aldehydes > 889939-65-5
889939-65-5 | 7,8-Dimethyl-1,2,3,9b-tetraaza-cyclopenta[a]naphthalene-4-carbaldehyde
CAS No: 889939-65-5 Catalog No: AG01EYIR MDL No:
Product Description
Catalog Number:
AG01EYIR
Chemical Name:
7,8-Dimethyl-1,2,3,9b-tetraaza-cyclopenta[a]naphthalene-4-carbaldehyde
CAS Number:
889939-65-5
Molecular Formula:
C12H10N4O
Molecular Weight:
226.2340
IUPAC Name:
7,8-dimethyltetrazolo[1,5-a]quinoline-4-carbaldehyde
InChI:
InChI=1S/C12H10N4O/c1-7-3-9-5-10(6-17)12-13-14-15-16(12)11(9)4-8(7)2/h3-6H,1-2H3
InChI Key:
XRNDNFGZLUXZFL-UHFFFAOYSA-N
SMILES:
O=Cc1cc2cc(C)c(cc2n2c1nnn2)C
Properties
Complexity:
311
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.085g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
226.239g/mol
Monoisotopic Mass:
226.085g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
60.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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