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88570-08-5 | Pyrazolo[1,5-a]pyrimidin-7(1H)-one, 5-[(acetyloxy)methyl]-1-phenyl-
CAS No: 88570-08-5 Catalog No: AG004BN7 MDL No:
Product Description
Catalog Number:
AG004BN7
Chemical Name:
Pyrazolo[1,5-a]pyrimidin-7(1H)-one, 5-[(acetyloxy)methyl]-1-phenyl-
CAS Number:
88570-08-5
Molecular Formula:
C15H13N3O3
Molecular Weight:
283.2820
IUPAC Name:
(7-oxo-1-phenylpyrazolo[1,5-a]pyrimidin-5-yl)methyl acetate
InChI:
InChI=1S/C15H13N3O3/c1-11(19)21-10-12-9-15(20)18-14(16-12)7-8-17(18)13-5-3-2-4-6-13/h2-9H,10H2,1H3
InChI Key:
MIDIYESNYPDAER-UHFFFAOYSA-N
SMILES:
CC(=O)OCc1cc(=O)n2c(n1)ccn2c1ccccc1
Properties
Complexity:
544
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
283.096g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
283.287g/mol
Monoisotopic Mass:
283.096g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
62.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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