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88066-90-4 | 2(1H)-Pyrazinone,5-(3-methoxyphenyl)-
CAS No: 88066-90-4 Catalog No: AG004I3E MDL No:MFCD08692547
Product Description
Catalog Number:
AG004I3E
Chemical Name:
2(1H)-Pyrazinone,5-(3-methoxyphenyl)-
CAS Number:
88066-90-4
Molecular Formula:
C11H10N2O2
Molecular Weight:
202.2093
MDL Number:
MFCD08692547
IUPAC Name:
5-(3-methoxyphenyl)-1H-pyrazin-2-one
InChI:
InChI=1S/C11H10N2O2/c1-15-9-4-2-3-8(5-9)10-6-13-11(14)7-12-10/h2-7H,1H3,(H,13,14)
InChI Key:
GNQNPDDPKGJXJO-UHFFFAOYSA-N
SMILES:
COc1cccc(c1)c1c[nH]c(=O)cn1
Properties
Complexity:
310
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
202.074g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
202.213g/mol
Monoisotopic Mass:
202.074g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
50.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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