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1858240-23-9 | 3-Methyl-2-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)benzoic acid
CAS No: 1858240-23-9 Catalog No: AG01FH8Z MDL No:
Product Description
Catalog Number:
AG01FH8Z
Chemical Name:
3-Methyl-2-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)benzoic acid
CAS Number:
1858240-23-9
IUPAC Name:
3-methyl-2-(3-oxo-1H-isoindol-2-yl)benzoic acid
InChI:
InChI=1S/C16H13NO3/c1-10-5-4-8-13(16(19)20)14(10)17-9-11-6-2-3-7-12(11)15(17)18/h2-8H,9H2,1H3,(H,19,20)
InChI Key:
IYIFUJHPSHXNGH-UHFFFAOYSA-N
Properties
Complexity:
409
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
267.09g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
267.284g/mol
Monoisotopic Mass:
267.09g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
57.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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