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51073-57-5 | Cinnoline-3-carbaldehyde
CAS No: 51073-57-5 Catalog No: AG006TZD MDL No:MFCD00024046
Product Description
Catalog Number:
AG006TZD
Chemical Name:
Cinnoline-3-carbaldehyde
CAS Number:
51073-57-5
Molecular Formula:
C9H6N2O
Molecular Weight:
158.1567
MDL Number:
MFCD00024046
IUPAC Name:
cinnoline-3-carbaldehyde
InChI:
InChI=1S/C9H6N2O/c12-6-8-5-7-3-1-2-4-9(7)11-10-8/h1-6H
InChI Key:
IVZANHPQJIQFAX-UHFFFAOYSA-N
SMILES:
O=Cc1nnc2c(c1)cccc2
Properties
Complexity:
172
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
158.048g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
158.16g/mol
Monoisotopic Mass:
158.048g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
42.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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