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143647-54-5 | 3-hydroxy-2-methyl-3-(2-phenylethynyl)-2,3-dihydro-1H-isoindol-1-one
CAS No: 143647-54-5 Catalog No: AG00IXRB MDL No:MFCD00215773
Product Description
Catalog Number:
AG00IXRB
Chemical Name:
3-hydroxy-2-methyl-3-(2-phenylethynyl)-2,3-dihydro-1H-isoindol-1-one
CAS Number:
143647-54-5
Molecular Formula:
C17H13NO2
Molecular Weight:
263.2906
MDL Number:
MFCD00215773
IUPAC Name:
3-hydroxy-2-methyl-3-(2-phenylethynyl)isoindol-1-one
InChI:
InChI=1S/C17H13NO2/c1-18-16(19)14-9-5-6-10-15(14)17(18,20)12-11-13-7-3-2-4-8-13/h2-10,20H,1H3
InChI Key:
HVJIMBAPXISOQJ-UHFFFAOYSA-N
SMILES:
O=C1c2ccccc2C(N1C)(O)C#Cc1ccccc1
Properties
Complexity:
454
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
263.095g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
263.296g/mol
Monoisotopic Mass:
263.095g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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