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787591-37-1 | Phenol, 3-[8-(methylamino)imidazo[1,2-a]pyrazin-3-yl]-
CAS No: 787591-37-1 Catalog No: AG005DYD MDL No:
Product Description
Catalog Number:
AG005DYD
Chemical Name:
Phenol, 3-[8-(methylamino)imidazo[1,2-a]pyrazin-3-yl]-
CAS Number:
787591-37-1
Molecular Formula:
C13H12N4O
Molecular Weight:
240.2606
IUPAC Name:
3-[8-(methylamino)imidazo[1,2-a]pyrazin-3-yl]phenol
InChI:
InChI=1S/C13H12N4O/c1-14-12-13-16-8-11(17(13)6-5-15-12)9-3-2-4-10(18)7-9/h2-8,18H,1H3,(H,14,15)
InChI Key:
LVQDZEUNLFKWMM-UHFFFAOYSA-N
SMILES:
CNc1nccn2c1ncc2c1cccc(c1)O
Properties
Complexity:
288
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.101g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
240.266g/mol
Monoisotopic Mass:
240.101g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
62.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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