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929339-55-9 | 6-hydroxy-7-methyl-2-(pyridin-3-ylmethylidene)-2,3-dihydro-1-benzofuran-3-one
CAS No: 929339-55-9 Catalog No: AG019MR9 MDL No:MFCD11505375
Product Description
Catalog Number:
AG019MR9
Chemical Name:
6-hydroxy-7-methyl-2-(pyridin-3-ylmethylidene)-2,3-dihydro-1-benzofuran-3-one
CAS Number:
929339-55-9
Molecular Formula:
C15H11NO3
Molecular Weight:
253.2527
MDL Number:
MFCD11505375
IUPAC Name:
(2Z)-6-hydroxy-7-methyl-2-(pyridin-3-ylmethylidene)-1-benzofuran-3-one
InChI:
InChI=1S/C15H11NO3/c1-9-12(17)5-4-11-14(18)13(19-15(9)11)7-10-3-2-6-16-8-10/h2-8,17H,1H3/b13-7-
InChI Key:
LRDGARJOLZMYEK-QPEQYQDCSA-N
SMILES:
O=C1C(=Cc2cccnc2)Oc2c1ccc(c2C)O
Properties
Complexity:
393
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
253.074g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
253.257g/mol
Monoisotopic Mass:
253.074g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
59.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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