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1393462-77-5 | Cinnoline, 3-[(1E)-2-phenylethenyl]-
CAS No: 1393462-77-5 Catalog No: AG001AST MDL No:
Product Description
Catalog Number:
AG001AST
Chemical Name:
Cinnoline, 3-[(1E)-2-phenylethenyl]-
CAS Number:
1393462-77-5
Molecular Formula:
C16H12N2
Molecular Weight:
232.2799
IUPAC Name:
3-[(E)-2-phenylethenyl]cinnoline
InChI:
InChI=1S/C16H12N2/c1-2-6-13(7-3-1)10-11-15-12-14-8-4-5-9-16(14)18-17-15/h1-12H/b11-10+
InChI Key:
AWBTVSLTEQNTFY-ZHACJKMWSA-N
SMILES:
c1ccc(cc1)/C=C/c1nnc2c(c1)cccc2
Properties
Complexity:
281
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
232.1g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
232.286g/mol
Monoisotopic Mass:
232.1g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
25.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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