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83516-68-1 | 6-[(E)-2-phenylethenyl]-2,3,4,5-tetrahydropyridazin-3-one
CAS No: 83516-68-1 Catalog No: AG00IOQN MDL No:MFCD00793232
Product Description
Catalog Number:
AG00IOQN
Chemical Name:
6-[(E)-2-phenylethenyl]-2,3,4,5-tetrahydropyridazin-3-one
CAS Number:
83516-68-1
Molecular Formula:
C12H12N2O
Molecular Weight:
200.2365
MDL Number:
MFCD00793232
IUPAC Name:
3-(2-phenylethenyl)-4,5-dihydro-1H-pyridazin-6-one
InChI:
InChI=1S/C12H12N2O/c15-12-9-8-11(13-14-12)7-6-10-4-2-1-3-5-10/h1-7H,8-9H2,(H,14,15)
InChI Key:
BHAMKLMGLDPCFV-UHFFFAOYSA-N
SMILES:
O=C1CCC(=NN1)/C=C/c1ccccc1
Properties
Complexity:
288
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
200.095g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
200.241g/mol
Monoisotopic Mass:
200.095g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
41.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.3
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