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503039-50-7 | 4-[(1-oxo-2,3-dihydro-1H-isoindol-2-yl)methyl]benzoic acid
CAS No: 503039-50-7 Catalog No: AG00IXQC MDL No:MFCD06200936
Product Description
Catalog Number:
AG00IXQC
Chemical Name:
4-[(1-oxo-2,3-dihydro-1H-isoindol-2-yl)methyl]benzoic acid
CAS Number:
503039-50-7
Molecular Formula:
C16H13NO3
Molecular Weight:
267.2793
MDL Number:
MFCD06200936
IUPAC Name:
4-[(3-oxo-1H-isoindol-2-yl)methyl]benzoic acid
InChI:
InChI=1S/C16H13NO3/c18-15-14-4-2-1-3-13(14)10-17(15)9-11-5-7-12(8-6-11)16(19)20/h1-8H,9-10H2,(H,19,20)
InChI Key:
OWEXXVQMKGYTOP-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(cc1)CN1Cc2c(C1=O)cccc2
Properties
Complexity:
387
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:
3
Topological Polar Surface Area:
57.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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