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114482-51-8 | 2-Pyrazinol, 1,4-dihydro-6-methyl-3-phenyl-
CAS No: 114482-51-8 Catalog No: AG000EIZ MDL No:
Product Description
Catalog Number:
AG000EIZ
Chemical Name:
2-Pyrazinol, 1,4-dihydro-6-methyl-3-phenyl-
CAS Number:
114482-51-8
Molecular Formula:
C11H12N2O
Molecular Weight:
188.2258
IUPAC Name:
6-methyl-3-phenyl-1,4-dihydropyrazin-2-ol
InChI:
InChI=1S/C11H12N2O/c1-8-7-12-10(11(14)13-8)9-5-3-2-4-6-9/h2-7,12-14H,1H3
InChI Key:
KDMIBPNGNDWICH-UHFFFAOYSA-N
SMILES:
Cc1c[nH]c(c([nH]1)O)c1ccccc1
Properties
Complexity:
275
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.095g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
188.23g/mol
Monoisotopic Mass:
188.095g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
44.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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